data_1uey_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 1uey _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 ' 13' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 9.8 m-85 -117.42 -165.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.4 m-20 157.24 54.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.631 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.68 161.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 122.24 7.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.99 160.8 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.95 39.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.97 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 38' ' ' THR . 25.2 p90 -149.74 178.43 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 17.34 7.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.13 133.16 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 134.91 45.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.0 tp -104.81 112.56 25.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.01 122.32 38.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 91' ' ' VAL . 34.7 p90 -127.77 163.8 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.565 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 8.9 m -128.64 111.36 19.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 111.99 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.11 -138.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.06 155.09 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -107.2 -16.57 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.619 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.2 m-80 61.0 67.97 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 12.3 m-80 66.86 -61.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.8 t -72.63 117.52 59.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.85 42.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.612 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -68.65 143.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.9 p -122.36 -35.09 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -144.31 160.54 40.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 22.2 m-85 -135.9 104.75 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.49 HD13 ' CG2' ' A' ' 94' ' ' VAL . 3.2 mt -88.99 155.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.5 mp -132.58 160.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 24.5 mt-10 -155.37 159.58 40.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -145.77 158.35 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.14 128.62 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -73.35 93.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.24 -25.3 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -78.03 -9.14 58.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -127.46 -68.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 mtmt -135.61 96.71 13.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.51 4.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.61 -1.28 9.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 HD23 ' CE1' ' A' ' 65' ' ' HIS . 11.4 tp -103.5 95.53 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 50.0 m95 -85.76 135.95 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CE1' HD23 ' A' ' 63' ' ' LEU . 82.8 m-70 -124.62 172.32 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.2 116.33 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.89 -77.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -168.22 160.87 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pp20? -130.4 171.58 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -149.19 -175.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.72 169.6 17.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 22.55 24.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.67 -37.6 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.487 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 5.9 pt20 -84.13 166.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -142.37 14.76 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -138.22 120.83 16.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.67 146.08 51.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.43 137.5 33.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 89' ' ' PHE . 9.9 mt -115.13 136.79 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -93.55 110.23 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 87' ' ' TYR . 15.3 mt -108.89 159.95 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.66 165.56 32.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 140.24 25.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 63.75 52.16 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 87' ' ' TYR . 2.1 t -147.26 129.75 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.72 143.89 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER 178.25 170.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.71 -179.06 3.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 79' ' ' LEU . 74.2 m-85 -139.42 121.6 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.606 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.0 ptt180 -116.73 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.538 HG13 ' CG ' ' A' ' 37' ' ' TRP . 79.0 t -102.38 143.97 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.5 mtm -128.06 151.38 49.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.524 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -118.28 133.96 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG2' HD13 ' A' ' 51' ' ' ILE . 2.5 t -129.12 131.25 68.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.4 p30 -132.72 -167.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -37.85 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -63.71 -77.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.63 -160.74 20.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.403 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 20.8 ttmt -98.29 129.11 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 79.1 p -80.69 179.96 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -70.68 161.56 76.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 144.66 30.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.8 p -49.56 152.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 6.6 mt-10 -35.53 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.87 104.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.4 p -60.37 174.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.7 168.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.49 96.97 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.77 117.44 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 19.6 m-85 -95.89 -164.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.4 m-20 158.37 51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.9 m 49.96 162.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.03 120.88 6.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.513 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.6 m-80 -45.73 164.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.18 39.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.36 170.25 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.05 18.73 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -50.15 130.82 23.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.46 159.27 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' HD12 ' A' ' 81' ' ' LEU . 4.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.412 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 18.7 tt0 -91.63 131.4 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -107.5 111.47 23.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -96.3 121.96 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CD2' HG13 ' A' ' 91' ' ' VAL . 47.1 p90 -126.62 162.94 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -128.89 111.77 18.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.04 112.27 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.52 -149.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -50.71 158.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.9 m-20 -110.68 -17.03 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.66 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER 60.79 68.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 50.8 m-80 66.66 -62.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 31.8 t -72.22 117.37 57.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.2 41.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.599 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -65.54 144.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.5 p -124.52 -34.1 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -144.73 160.5 41.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 23.4 m-85 -136.07 105.92 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.521 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mt -89.08 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.0 mp -126.45 160.57 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -155.03 159.86 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.55 163.28 37.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -145.29 148.91 33.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 58' ' ' MET . 27.7 t0 -91.64 131.99 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.29 -19.1 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' MET . 13.3 ttp -89.13 -4.22 58.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.417 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 24.2 m80 -129.83 -74.96 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -128.71 94.1 35.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.98 18.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.28 -15.37 57.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 65' ' ' HIS . 11.0 tp -86.54 103.09 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 55' ' ' GLU . 80.6 m95 -95.95 140.85 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.495 ' CE1' HD21 ' A' ' 63' ' ' LEU . 64.8 m-70 -129.54 152.26 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -65.38 128.29 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.616 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.35 -73.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -169.17 166.2 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -133.0 170.73 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.491 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -146.34 -176.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 169.17 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 26.2 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -40.88 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.491 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.7 pt20 -81.06 158.6 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -136.34 20.9 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 47.4 p -146.05 128.8 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.47 151.42 48.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.96 138.25 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 89' ' ' PHE . 16.9 mt -121.14 132.58 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.08 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' CE2' ' A' ' 89' ' ' PHE . 8.9 mt -107.83 154.01 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.0 m -118.66 161.53 35.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.5 Cg_endo -74.96 139.53 24.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.2 m-85 71.95 50.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG13 ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -152.98 116.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.27 129.05 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CE2' HG13 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -166.59 170.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.065 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.433 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 58.7 m -108.0 -179.51 3.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' HD21 ' A' ' 81' ' ' LEU . 49.8 m-85 -148.56 123.65 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -117.03 175.81 5.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 37' ' ' TRP . 30.3 t -137.45 134.02 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.413 ' N ' ' HE3' ' A' ' 92' ' ' MET . 3.6 mtm -117.9 151.75 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.521 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -118.26 138.41 52.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -133.8 131.2 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.5 p30 -132.6 -167.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -44.58 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.1 mm -58.2 -82.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.78 -157.74 11.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -96.37 135.07 38.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 78.3 p -87.05 176.86 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.62 161.74 49.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.31 30.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 104' ' ' GLU . 19.1 p -51.43 156.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.2 mm-40 -37.06 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.77 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 p -61.83 162.07 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.67 150.25 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.6 101.46 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.72 123.27 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.487 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 13.8 m-85 -116.91 -170.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.621 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.3 m-20 161.37 52.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' O ' ' A' ' 15' ' ' ASP . 32.6 m 50.03 162.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.01 120.88 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -44.78 163.27 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.46 38.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -151.43 174.32 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.21 25.2 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -52.32 133.99 34.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.6 167.61 24.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.483 HG23 ' CE2' ' A' ' 109' ' ' TYR . 3.2 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 7.6 tt0 -87.94 142.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 33.3 tp -116.22 111.8 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 m -99.37 118.43 35.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CG ' HG13 ' A' ' 91' ' ' VAL . 48.0 p90 -121.03 163.89 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 m -126.41 109.7 23.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.99 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.16 -141.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.89 157.58 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.3 m-20 -109.3 -16.08 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.56 67.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 11.2 m-80 66.67 -61.35 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.5 t -72.41 117.1 55.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.23 43.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.61 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.67 143.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 35.6 p -121.74 -34.3 3.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -144.89 158.71 43.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 20.4 m-85 -134.03 105.2 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 ' CG2' ' A' ' 94' ' ' VAL . 3.2 mt -88.77 152.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -128.38 160.61 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 44.8 mt-10 -154.68 162.66 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -148.3 160.88 42.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.15 144.79 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 59' ' ' HIS . 40.8 t0 -92.8 102.48 14.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.22 -18.64 57.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 34.4 ttm -82.77 -7.33 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 17.4 m80 -132.59 -70.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 95.16 32.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 108.56 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.56 -18.96 5.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' NE2' ' A' ' 65' ' ' HIS . 11.6 tp -79.82 104.9 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -93.54 136.75 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.418 ' NE2' HD21 ' A' ' 63' ' ' LEU . 78.6 m-70 -128.37 145.88 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.464 ' CE1' HG21 ' A' ' 51' ' ' ILE . 1.6 t-80 -57.05 119.31 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -72.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 155.35 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -124.94 168.65 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.516 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -144.45 -175.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 168.94 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.73 33.64 4.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.47 -44.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.516 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 15.3 pt20 -77.13 147.26 36.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -123.68 18.4 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.416 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 52.3 p -137.24 128.53 28.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.29 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -78.1 134.2 37.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 6.8 mt -110.97 135.48 51.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -93.57 108.87 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.6 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 5.6 mt -105.5 160.54 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.3 m -134.85 154.78 79.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.575 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 135.03 18.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 83' ' ' PRO . 4.2 m-85 68.59 47.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.56 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 16.0 t -152.17 98.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.515 ' CB ' HD22 ' A' ' 110' ' ' LEU . 47.2 t30 -82.79 147.93 28.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER 176.68 170.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 p -113.47 -178.57 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 75.9 m-85 -150.15 124.16 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 1.0 OUTLIER -115.04 -176.25 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG13 ' CG ' ' A' ' 37' ' ' TRP . 50.5 t -146.6 132.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.3 mtm -117.02 152.23 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.525 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.33 135.85 54.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.487 ' CG2' HD12 ' A' ' 51' ' ' ILE . 2.5 t -130.79 131.2 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 55.1 p30 -132.66 -167.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.89 -41.92 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.471 HD12 ' CG ' ' A' ' 14' ' ' TYR . 5.0 mm -60.03 -80.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.5 -159.55 15.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -97.73 126.96 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 58.7 p -79.0 175.28 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.91 161.92 57.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 143.69 29.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.2 p -53.94 156.86 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 36.7 mt-10 -38.46 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.99 114.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.26 166.0 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.63 158.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.45 96.93 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.483 ' CE2' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -83.67 118.49 23.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 84.9 m-85 -74.39 -178.53 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 167.02 49.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.8 m 49.95 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.99 121.76 6.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.4 m-80 -45.94 164.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.63 37.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.49 174.56 13.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.67 21.02 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.24 141.11 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.71 167.6 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.544 ' NE2' ' CG2' ' A' ' 76' ' ' THR . 9.6 tm0? -103.84 131.12 51.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 tp -101.74 116.95 33.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -99.11 126.52 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CD1' HG12 ' A' ' 91' ' ' VAL . 47.6 p90 -131.06 162.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.6 m -129.55 110.19 17.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 109.48 2.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.37 -140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.075 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -58.5 158.21 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -107.82 -17.38 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 1.9 m-80 61.07 65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.7 m-80 68.07 -60.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.483 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 4.4 m -72.99 116.81 54.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.04 36.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.606 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -64.61 142.42 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' GLY . 44.0 p -125.33 -33.51 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 50' ' ' PHE . 1.9 ttpt -139.61 157.28 46.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 8.2 m-85 -134.9 103.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.3 mt -88.57 154.62 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.07 158.95 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 22.3 mt-10 -155.53 161.06 40.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -143.65 156.04 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -120.34 133.77 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.17 90.8 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.46 -9.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.5 ttm -84.94 -24.99 28.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -122.47 -75.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.8 96.78 45.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.88 34.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 65' ' ' HIS . 14.6 tp -80.0 101.26 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 81.6 m95 -89.78 140.96 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.063 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.427 ' CE1' HD22 ' A' ' 63' ' ' LEU . 94.0 m-70 -125.63 159.51 31.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.639 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -73.15 110.91 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.91 -73.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -171.49 159.23 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -127.93 160.3 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.434 HG21 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.15 -175.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.62 164.09 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -82.43 4.76 76.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.0 p -96.17 -21.86 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 76' ' ' THR . 2.4 pt20 -104.81 169.15 8.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p -147.1 20.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.544 ' CG2' ' NE2' ' A' ' 34' ' ' GLN . 2.9 p -143.55 124.98 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.23 151.52 51.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -85.56 130.38 34.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 89' ' ' PHE . 6.1 mt -108.45 130.94 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -91.77 109.16 20.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.463 HD22 ' CZ ' ' A' ' 89' ' ' PHE . 9.5 mt -103.42 148.54 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -122.87 159.15 54.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 138.36 22.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m-85 70.24 46.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.433 ' CG2' ' C ' ' A' ' 84' ' ' TYR . 1.3 t -150.17 117.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.18 137.18 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -176.28 172.04 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.42 -179.33 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' A' ' 79' ' ' LEU . 52.2 m-85 -136.52 122.18 19.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 3.3 ptt180 -115.44 139.11 50.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG12 ' CD1' ' A' ' 37' ' ' TRP . 61.4 t -110.91 135.69 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.2 mtm -119.55 153.89 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.513 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.62 136.41 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.486 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -131.54 130.11 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 56.5 p30 -132.59 -170.01 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -44.23 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -59.59 -89.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.16 -155.3 7.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -100.36 127.57 46.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 65.8 p -78.43 -179.1 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.0 mt -72.06 161.59 78.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.0 146.12 32.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 24.5 p -54.12 154.79 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 51.5 mt-10 -36.85 -80.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 163.02 110.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 p -65.34 -179.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 172.4 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -96.6 96.96 9.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.5 116.56 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 45.2 m-85 -95.06 -175.26 3.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 11.9 m-20 166.31 50.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.1 m 49.87 162.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.5 Cg_endo -75.01 122.29 7.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.48 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.4 m-80 -46.44 165.23 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.98 34.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.18 20.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -151.32 174.35 13.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER 72.25 9.9 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.9 mp -40.79 137.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.47 164.14 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 34' ' ' GLN . 14.8 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' N ' HG21 ' A' ' 33' ' ' VAL . 5.0 tm0? -99.32 121.55 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -93.02 117.96 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 128.69 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.9 p90 -134.46 160.76 37.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 107.987 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.4 m -127.19 110.0 21.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.02 108.99 2.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.2 -140.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 156.09 12.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -106.97 -16.34 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.582 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.3 m-80 60.27 67.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.556 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 55.4 m-80 66.54 -61.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 m -71.63 115.96 42.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 142.4 27.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.444 1.76 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.599 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.31 141.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -121.99 -33.43 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -146.06 160.24 42.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 24.9 m-85 -135.55 105.32 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mt -89.39 156.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -132.02 158.66 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 16.2 mt-10 -154.9 152.63 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -137.82 161.58 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -130.01 135.99 48.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.79 98.06 10.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.05 -22.88 44.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.4 ttm -78.53 -0.21 28.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.88 -69.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -131.4 93.88 28.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.68 5.76 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.32 -12.88 12.46 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 65' ' ' HIS . 10.7 tp -92.02 97.08 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 78.0 m95 -88.53 140.24 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.422 ' CE1' HD21 ' A' ' 63' ' ' LEU . 60.3 m-70 -129.08 161.29 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.5 126.96 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.569 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.67 -75.55 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -167.99 165.55 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -136.24 166.77 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.482 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.56 -176.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.03 170.08 14.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.21 27.53 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.67 -41.07 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.482 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.7 pt20 -80.2 156.25 27.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -133.29 18.25 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 p -141.49 118.13 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.09 136.9 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.58 138.83 51.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 89' ' ' PHE . 7.5 mt -114.96 121.61 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.403 ' C ' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -83.22 107.76 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.403 HD21 ' C ' ' A' ' 80' ' ' ASN . 6.7 mt -102.76 152.84 20.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.454 ' OG ' ' CG1' ' A' ' 85' ' ' VAL . 6.0 p -118.68 159.64 43.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.611 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.0 Cg_endo -75.08 138.25 22.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.611 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.5 m-85 64.32 74.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG22 ' CE1' ' A' ' 87' ' ' TYR . 2.7 p 178.15 113.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.418 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 28.8 t30 -100.75 146.34 27.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.533 ' CE1' HG22 ' A' ' 85' ' ' VAL . 13.8 p90 179.08 165.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -106.76 -177.69 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 79' ' ' LEU . 52.5 m-85 -137.98 135.85 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.56 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.91 130.1 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.6 t -101.08 135.88 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.8 mtm -121.48 154.3 36.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.499 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.74 137.16 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -132.02 131.88 61.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.479 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.2 p30 -132.71 -167.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -42.05 31.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 5.1 mm -60.7 -82.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.11 -156.96 10.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -97.61 128.85 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 54.3 p -82.53 177.95 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 mt -69.77 161.77 72.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.01 28.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.1 p -50.17 163.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 47.0 mt-10 -36.61 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.44 95.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.3 167.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -56.48 164.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -90.06 100.41 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.93 129.8 34.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 8.7 m-85 -116.3 -164.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.3 m-20 156.56 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.4 m 49.56 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -46.12 163.68 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -151.88 174.34 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.41 10.01 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.03 144.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.6 167.39 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.569 HD23 ' CE2' ' A' ' 89' ' ' PHE . 2.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -122.02 122.42 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -97.37 113.34 24.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -101.81 117.76 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CD1' HG12 ' A' ' 91' ' ' VAL . 39.7 p90 -120.09 163.1 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.4 m -130.04 112.52 17.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.0 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.68 -139.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.64 158.67 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.34 -17.8 13.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 61.06 68.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.8 m-80 66.29 -62.11 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.0 t -72.16 117.09 55.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.78 41.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.596 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.06 144.63 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLY . 27.2 p -123.67 -34.51 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -144.82 160.34 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.596 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 28.1 m-85 -135.86 104.97 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.2 mt -89.04 156.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' THR . 2.7 mp -131.86 159.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -155.39 164.84 38.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -148.01 158.93 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -122.26 117.37 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.92 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . -61.89 -34.57 76.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.3 ttm -67.56 -48.82 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -79.59 -67.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -143.44 107.48 5.17 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.81 12.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.82 -17.49 30.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 tp -87.38 96.02 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 65.9 m95 -84.57 140.29 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 107.96 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.69 126.9 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -104.7 -76.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ILE . 9.7 t -168.44 164.34 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 2.5 pp20? -135.05 165.3 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -142.24 -175.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.08 168.24 18.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.04 24.54 12.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -38.38 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.34 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.456 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 8.7 pt20 -86.38 162.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -141.36 19.25 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 p -139.09 121.61 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.86 136.84 44.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.95 130.61 42.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 89' ' ' PHE . 7.5 mt -112.48 129.34 56.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.17 108.76 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB3' ' OH ' ' A' ' 87' ' ' TYR . 1.4 mt -107.72 147.49 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.484 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -95.24 166.65 14.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.471 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.0 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.477 ' O ' ' HB ' ' A' ' 85' ' ' VAL . 10.9 m-85 -109.7 84.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.1 p 170.5 153.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.423 ' N ' HG22 ' A' ' 85' ' ' VAL . 49.6 t30 -143.85 153.89 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 85' ' ' VAL . 8.3 p90 172.91 173.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.68 -178.59 3.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' HD23 ' A' ' 25' ' ' LEU . 44.6 m-85 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -119.73 125.98 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' ' 37' ' ' TRP . 62.0 t -103.34 129.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 mtm -112.19 154.68 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.52 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.8 132.91 55.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.517 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -125.76 131.75 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.1 p30 -132.88 -167.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -37.74 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 23.8 mm -64.87 -77.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.77 -160.76 21.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -95.35 132.14 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.4 p -86.11 176.06 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.31 162.15 51.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -52.04 162.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.5 mm-40 -36.78 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.07 92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 170.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.52 98.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.74 118.93 20.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.9 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.483 ' CB ' ' CD1' ' A' ' 97' ' ' ILE . 74.8 m-85 -91.1 -177.45 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.623 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.6 m-20 167.59 50.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.623 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.7 m 49.98 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.99 163.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.1 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.437 1.756 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.61 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 38' ' ' THR . 51.9 p90 -136.87 -177.2 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.73 13.48 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mp -41.55 122.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.81 170.57 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -92.51 137.15 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CZ3' ' A' ' 37' ' ' TRP . 52.4 tp -108.8 112.81 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -98.71 120.52 39.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.426 ' CG ' HG12 ' A' ' 91' ' ' VAL . 48.9 p90 -121.72 163.2 19.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 55.1 m -123.36 108.72 31.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -59.97 -141.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.92 151.7 34.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -103.96 -16.17 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.539 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.5 m-80 60.42 67.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 67.7 m-80 66.87 -61.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.0 t -72.42 117.32 57.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.05 42.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.598 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.57 142.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' GLY . 77.2 p -123.45 -33.14 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 1.9 ttpt -146.11 157.37 43.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CE2' HG22 ' A' ' 47' ' ' ILE . 30.4 m-85 -134.33 108.05 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.8 mp -88.7 157.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.2 mp -133.53 136.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 52' ' ' ILE . 31.9 mt-10 -127.98 160.57 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.24 155.31 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.02 142.63 49.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' LYS . 38.3 t0 -90.14 124.49 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.52 -11.41 21.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.424 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 30.6 ttm -93.17 -8.34 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -131.87 -79.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.0 mtmt -119.88 95.41 49.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.49 29.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.76 -23.29 29.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.88 100.98 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 87.5 m95 -90.61 134.46 34.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 51' ' ' ILE . 19.6 t-80 -86.33 114.32 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -85.22 -77.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -163.39 159.51 22.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -126.21 161.93 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -137.57 -175.63 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.91 169.19 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.73 23.67 21.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.98 -35.06 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.469 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.6 pt20 -87.08 157.57 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 p -133.09 20.09 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 71.1 p -145.99 123.54 11.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.26 141.37 46.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.49 137.12 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 89' ' ' PHE . 7.4 mt -110.99 123.91 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -86.64 109.69 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD23 ' CZ ' ' A' ' 89' ' ' PHE . 9.8 mt -107.07 157.96 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -131.16 159.2 72.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.501 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 144.04 29.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.501 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 5.2 m-85 70.25 42.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' A' ' 87' ' ' TYR . 3.1 t -151.03 126.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -117.93 140.51 49.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -179.59 173.17 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -108.14 -178.39 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CZ ' HD23 ' A' ' 81' ' ' LEU . 23.3 m-85 -129.92 121.59 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.597 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 1.7 ttp180 -109.34 158.31 18.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.45 ' C ' ' SD ' ' A' ' 92' ' ' MET . 57.3 t -137.19 127.23 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.463 ' N ' ' SD ' ' A' ' 92' ' ' MET . 3.4 mpp? -119.73 158.97 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.482 ' HB3' ' CG1' ' A' ' 47' ' ' ILE . . . -127.53 134.1 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -130.0 133.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.8 p30 -132.58 -167.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -46.13 -44.22 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.483 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 4.2 mm -58.64 -85.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.96 -155.51 8.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.419 ' CA ' HG12 ' A' ' 94' ' ' VAL . 15.5 ttpp -97.69 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 84.0 p -84.69 163.46 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.22 162.4 0.86 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.437 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.06 140.16 24.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 79.4 p -53.79 157.47 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -41.88 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.01 117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.0 169.25 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.57 152.99 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -79.8 101.51 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.48 ' CE1' HD13 ' A' ' 81' ' ' LEU . 2.3 t80 -77.99 105.22 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 3.3 m-85 -74.07 -170.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 14' ' ' TYR . 14.7 m-20 162.43 146.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.423 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 26.9 m -40.77 160.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.1 Cg_endo -75.05 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -39.5 158.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.7 34.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.03 25.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -149.84 178.23 9.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.78 18.35 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -46.62 145.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.05 169.13 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 89' ' ' PHE . 4.1 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 131.62 50.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tp -103.93 114.21 28.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -99.44 123.43 43.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.7 p90 -125.53 163.33 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -124.15 110.78 28.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.59 -144.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.99 161.81 10.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.79 -18.08 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.31 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 65.7 m-80 67.32 -60.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.4 t -72.58 115.73 42.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.2 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.6 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -70.72 150.93 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 72' ' ' GLY . 59.8 p -128.96 -36.14 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -145.23 159.74 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 35.5 m-85 -134.26 109.18 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.599 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.7 mp -88.49 157.2 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -131.11 154.4 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 7.3 mt-10 -145.56 164.03 32.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -153.85 157.37 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -130.09 137.71 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' LYS . 34.4 t0 -87.94 96.15 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.07 -18.94 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.8 ttm -81.45 -6.55 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -136.48 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 9.6 mtmt -125.34 94.86 42.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.57 20.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.04 -16.57 60.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -83.38 95.29 8.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -88.88 139.63 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 54.4 m-70 -125.77 179.14 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.579 ' CE1' HG22 ' A' ' 51' ' ' ILE . 5.4 t-80 -94.8 114.69 26.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.85 -76.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.0 t -161.93 160.13 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -127.1 164.98 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -141.31 -175.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.58 167.6 21.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.29 18.11 43.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.2 -27.05 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.459 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.1 pt20 -97.63 167.95 10.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p -142.71 14.46 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 72.3 p -137.86 123.43 19.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.71 143.23 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -79.44 133.73 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 mt -114.83 117.44 30.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.96 107.68 13.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 80' ' ' ASN . 5.9 mt -99.09 153.03 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.11 160.73 63.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 146.35 32.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 23.9 m-85 62.35 71.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 87' ' ' TYR . 2.8 p 176.48 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.79 132.26 52.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.595 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.7 p90 -163.66 170.25 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 m -104.51 -179.03 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CD2' HD21 ' A' ' 25' ' ' LEU . 31.5 m-85 -133.15 127.13 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HD3' ' CZ3' ' A' ' 64' ' ' TRP . 2.5 ttp180 -108.96 173.85 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.521 HG11 ' CG ' ' A' ' 37' ' ' TRP . 49.4 t -153.48 121.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.2 mtm -117.75 149.88 40.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.15 138.16 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.599 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.0 t -130.09 130.48 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 57.3 p30 -130.43 -174.61 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -40.05 -47.01 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.95 -84.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.74 -157.93 9.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -94.58 132.6 39.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 52.0 p -84.11 177.74 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -65.31 160.32 59.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.97 142.22 27.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' GLU . 11.7 p -52.77 154.5 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 17.5 mt-10 -36.15 -80.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 158.84 114.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 167.68 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 152.88 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -79.44 99.84 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.58 108.13 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 20.6 m-85 -95.29 -166.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.637 ' O ' ' O ' ' A' ' 16' ' ' VAL . 3.8 m-20 155.6 52.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.637 ' O ' ' O ' ' A' ' 15' ' ' ASP . 28.8 m 49.72 160.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -74.97 121.66 6.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.65 159.69 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.07 39.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.0 170.64 19.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -151.3 -176.15 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.23 20.07 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.25 150.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.41 166.72 31.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.64 131.0 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -100.08 117.49 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.2 p -97.85 124.73 42.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' CG ' HG12 ' A' ' 91' ' ' VAL . 47.0 p90 -127.32 162.27 26.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 63.5 m -122.24 110.94 32.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 109.55 2.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.55 -140.9 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.36 161.66 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.5 m-20 -112.12 -15.64 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 60.07 69.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 44.9 m-80 66.43 -62.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.7 m -71.63 116.83 51.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.98 21.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.593 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -48.74 142.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 19.4 p -122.61 -33.74 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -146.52 158.09 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 33.4 m-85 -134.0 102.73 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.515 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.3 mt -89.05 156.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.458 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.0 mt -132.42 160.47 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 35.4 mt-10 -153.12 166.73 31.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -149.97 151.41 33.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -119.21 136.54 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.25 98.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.21 15.36 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 ttm -102.94 -24.28 13.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -134.31 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -114.74 91.86 27.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.02 25.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 97.32 -27.76 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.34 97.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.605 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.1 m95 -84.15 148.48 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.99 161.53 32.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -75.72 119.39 19.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.64 -76.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 t -167.83 169.83 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.66 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.73 -175.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 172.86 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' O ' HG21 ' A' ' 47' ' ' ILE . . . -85.38 16.04 41.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -126.01 -1.74 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.442 ' C ' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.54 164.07 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' C ' ' A' ' 74' ' ' GLN . 29.6 p -151.88 17.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 1.6 p -155.41 123.72 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.71 145.57 50.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -78.23 125.99 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.55 HD11 ' CD1' ' A' ' 89' ' ' PHE . 6.1 mt -101.85 122.46 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.1 109.51 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 89' ' ' PHE . 11.8 mt -105.07 151.03 24.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -124.21 160.0 54.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 141.24 26.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 64.25 37.32 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 87' ' ' TYR . 2.8 t -141.81 109.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.242 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.445 ' OD1' HD23 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -101.24 145.59 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -179.75 174.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 -177.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD1' HD11 ' A' ' 79' ' ' LEU . 31.4 m-85 -136.7 121.95 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 8.9 ptt180 -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG12 ' CG ' ' A' ' 37' ' ' TRP . 53.3 t -103.92 143.47 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 5.8 mtm -126.83 154.28 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -124.0 125.01 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.515 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -118.76 134.23 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.9 p30 -132.29 -167.09 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -34.38 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.468 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -67.35 -76.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.32 -158.84 14.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -97.65 124.09 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 100.0 p -74.57 175.27 7.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -65.99 158.47 75.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HG3' ' NH1' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.99 142.09 27.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.5 p -46.53 151.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 33.2 mt-10 -34.78 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.58 103.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 163.79 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -84.9 96.68 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -87.25 108.92 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.445 HD23 ' OD1' ' A' ' 86' ' ' ASN . 7.6 tp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.553 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 93.5 m-85 -73.14 -176.66 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.7 m-20 165.79 50.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.628 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.9 m 49.83 161.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 123.44 7.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.567 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.92 163.85 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.1 34.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.46 12.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE2' HG23 ' A' ' 38' ' ' THR . 31.1 p90 -151.65 175.32 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.91 16.67 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -50.67 129.85 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.2 152.46 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 35' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 10.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -106.6 125.23 50.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' CD1' HD13 ' A' ' 25' ' ' LEU . 11.1 tp -91.61 126.13 36.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 34' ' ' GLN . 3.7 m -107.95 123.42 48.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.503 ' CD1' HG11 ' A' ' 91' ' ' VAL . 44.6 p90 -127.53 163.59 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.489 HG23 ' CE2' ' A' ' 21' ' ' PHE . 53.4 m -128.13 108.73 19.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.98 108.82 2.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.61 -143.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -56.43 156.65 5.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.43 -16.43 14.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.644 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 61.69 67.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.7 m-80 67.13 -61.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -72.92 117.12 57.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.601 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -55.82 143.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 94' ' ' VAL . 33.5 p -124.07 -32.72 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -143.07 161.47 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 10.7 m-85 -137.19 105.75 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.531 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mp -88.89 151.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.23 156.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 69.1 mt-10 -152.93 159.79 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -148.33 158.45 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.567 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.07 150.57 52.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 58' ' ' MET . 59.1 t0 -98.38 106.66 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.52 -9.51 58.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 7.0 ttm -87.9 -6.92 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 79.3 m80 -139.96 -77.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mtmt -114.44 93.36 31.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 138.2 22.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 98.41 -29.1 12.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.76 113.95 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.2 m95 -102.96 143.88 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -125.83 150.75 47.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.34 104.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.555 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -78.02 -75.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.7 t -172.18 155.76 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.6 pp20? -121.46 168.42 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -145.9 -175.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 170.31 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.46 28.46 8.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -43.07 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.505 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.5 pt20 -76.96 158.31 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -137.37 17.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.3 p -138.83 115.88 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.55 139.7 52.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -78.43 136.56 37.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 89' ' ' PHE . 13.3 mt -117.7 142.64 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.08 111.87 23.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 109' ' ' TYR . 16.6 mt -110.25 158.86 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.84 168.16 17.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.623 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 134.32 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.623 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 10.0 m-85 64.36 65.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.552 ' HB ' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -153.38 94.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -86.32 122.89 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE2' ' HB ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -162.28 175.56 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.547 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 50.9 m -115.69 -177.96 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.9 m-85 -150.53 131.8 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -122.78 -179.2 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 37' ' ' TRP . 85.7 t -146.42 135.96 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.2 mtm -120.01 153.33 36.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.532 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.61 140.27 51.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -136.69 129.21 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 33.9 p30 -132.05 -171.5 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.2 m -39.6 -41.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 16' ' ' VAL . 5.0 mm -63.3 -101.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -147.51 -153.7 6.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -102.06 127.68 48.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 23.5 p -80.63 172.09 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.91 162.48 16.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.49 27.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -51.14 161.51 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 3.4 mt-10 -38.46 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 160.48 100.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.478 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -54.12 164.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 148.77 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.94 103.6 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.572 ' CE1' HD13 ' A' ' 81' ' ' LEU . 1.6 t80 -76.98 133.6 39.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CG ' HD13 ' A' ' 97' ' ' ILE . 22.4 m-85 -112.17 -172.61 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 165.9 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 15' ' ' ASP . 31.0 m 49.99 161.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.98 122.34 7.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -45.72 163.74 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.64 38.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.69 24.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.92 176.52 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER 67.27 10.17 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -39.71 131.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.39 156.13 31.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 79' ' ' LEU . 1.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 20.2 tt0 -143.66 133.93 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 91' ' ' VAL . 55.3 tp -104.6 123.0 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -107.27 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.559 ' CD1' HG13 ' A' ' 91' ' ' VAL . 45.3 p90 -121.64 163.06 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.4 m -129.3 112.76 18.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.04 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.68 -140.0 0.35 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 149.35 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.8 m-20 -103.0 -17.18 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.559 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 60.63 69.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 25.3 m-80 66.0 -62.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.6 t -71.92 116.91 53.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.81 38.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.587 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -62.51 142.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' GLY . 61.2 p -124.43 -33.45 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -144.22 156.38 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 47' ' ' ILE . 27.9 m-85 -134.82 103.67 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD11 ' CG2' ' A' ' 94' ' ' VAL . 3.6 mt -88.6 154.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.7 mp -131.71 154.81 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -148.52 170.99 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -154.19 160.25 41.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.81 137.38 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' LYS . 48.1 t0 -87.31 96.04 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.25 -17.14 58.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 36.0 ttm -77.57 -14.37 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 65.3 m80 -130.19 -70.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -125.59 97.14 36.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 134.73 18.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.13 -23.19 35.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.83 99.81 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 73.0 m95 -86.82 144.81 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -131.73 153.88 49.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.42 ' HD1' ' N ' ' A' ' 67' ' ' GLN . 1.8 t-80 -65.46 122.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' N ' ' HD1' ' A' ' 66' ' ' HIS . 3.5 tp60 -98.71 -76.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -168.82 162.61 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -129.22 163.82 24.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' CD ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.93 -176.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.72 170.43 14.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.12 33.57 4.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 -45.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.481 ' CD ' ' CG1' ' A' ' 70' ' ' VAL . 13.4 pt20 -77.72 143.52 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 p -119.74 14.86 12.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 46.6 p -135.78 130.17 33.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.68 137.99 32.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.23 128.75 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 4.9 mt -105.28 113.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -75.71 108.54 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.65 156.38 18.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.77 160.75 61.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.6 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 143.67 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.6 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 18.7 m-85 62.87 76.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.582 HG22 ' CE1' ' A' ' 87' ' ' TYR . 2.4 p 176.48 116.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -106.1 136.55 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' HG22 ' A' ' 85' ' ' VAL . 5.3 p90 -167.71 175.45 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.417 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 2.8 p -111.34 -178.82 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -135.25 121.88 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -119.8 138.84 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 37' ' ' TRP . 99.6 t -111.45 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' ILE . 5.0 mtm -130.33 153.28 48.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.77 128.32 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.8 t -123.55 130.73 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 54.9 p30 -132.25 -167.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.03 -44.19 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' CG2' HG11 ' A' ' 16' ' ' VAL . 5.6 mm -59.06 -86.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.38 -155.89 8.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -98.62 127.36 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.2 p -78.14 179.01 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 162.18 58.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 146.23 32.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' GLU . 25.0 p -56.22 153.87 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -36.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.97 106.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.95 170.15 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -92.48 97.61 10.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.81 108.61 15.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CB ' ' CD1' ' A' ' 97' ' ' ILE . 96.0 m-85 -72.36 -173.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.615 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.5 m-20 163.8 51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.6 m 50.29 161.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.98 120.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.486 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.14 163.27 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.45 33.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.15 18.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 38' ' ' THR . 28.1 p90 -151.93 174.58 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 106' ' ' SER . 2.5 mp -50.55 132.45 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 149.1 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 35' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' LEU . 12.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 11.2 tt0 -86.68 127.12 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' CD1' HD11 ' A' ' 25' ' ' LEU . 10.1 tp -99.39 114.49 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -96.17 126.46 41.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.529 ' CZ2' ' OE1' ' A' ' 74' ' ' GLN . 37.5 p90 -129.41 161.22 30.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 108.04 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.558 HG23 ' CZ ' ' A' ' 21' ' ' PHE . 22.2 m -126.42 109.1 23.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.443 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.93 108.27 2.67 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.18 -144.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.3 154.84 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.46 -16.08 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 60.58 67.01 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.509 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 71.8 m-80 67.87 -60.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.491 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.4 m -72.81 116.33 49.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.1 33.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.598 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -60.32 143.21 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLY . 47.9 p -125.06 -32.46 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -142.1 159.04 43.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 9.7 m-85 -135.4 106.76 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.557 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 mt -88.25 155.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -131.7 158.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 52' ' ' ILE . 21.6 mt-10 -154.37 159.18 41.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . 12.3 p90 -145.91 159.86 42.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -135.63 150.18 49.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -99.75 107.01 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -15.57 56.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ttp -85.96 -16.64 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -120.25 -74.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -128.12 98.14 27.51 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.19 17.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.74 -23.53 32.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.34 115.64 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.603 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 66.6 m95 -104.46 138.67 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.63 147.93 45.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -64.82 108.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -85.61 -76.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 159.44 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.5 pp20? -124.91 166.52 16.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.1 -179.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.57 171.95 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -92.29 15.34 62.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 -22.92 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' OE1' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -98.38 170.2 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -149.02 19.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 68.3 p -148.51 125.72 11.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.64 145.72 43.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.99 142.48 43.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' VAL . 13.6 mt -119.58 134.8 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.401 ' C ' HD23 ' A' ' 81' ' ' LEU . 2.8 m120 -89.87 108.49 19.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.682 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 8.4 mt -106.76 143.67 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.31 157.56 43.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.95 140.1 25.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 17.5 m-85 65.3 72.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 87' ' ' TYR . 2.5 p 177.25 109.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -93.09 138.62 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -167.68 168.12 12.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -109.76 -178.7 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 41.7 m-85 -149.48 128.88 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.0 ptt180 -123.2 175.99 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' A' ' 37' ' ' TRP . 91.7 t -137.54 143.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 91' ' ' VAL . 4.0 mpp? -127.43 152.44 47.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.488 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.7 140.86 51.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.557 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.9 t -135.97 129.32 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.491 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.1 p30 -127.23 -168.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.11 -41.39 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.542 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 2.7 mm -59.74 -83.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.46 -154.89 8.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -99.98 134.69 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 85.6 p -84.48 176.63 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -65.46 160.1 62.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 p -45.78 150.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 26.6 mt-10 -38.96 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 163.39 118.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 7.9 p -67.15 162.01 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.36 153.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -74.46 96.03 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.682 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 3.5 t80 -92.06 111.68 23.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 29.0 m-85 -97.17 -165.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.4 m-20 157.44 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 33.6 m 49.66 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.07 120.82 6.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.462 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -44.59 163.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.38 30.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.66 17.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.81 175.79 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.01 14.88 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 106' ' ' SER . 0.9 OUTLIER -50.58 130.12 23.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 151.62 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 35' ' ' LEU . 3.1 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.552 ' NE2' ' CG2' ' A' ' 76' ' ' THR . 1.5 tm0? -120.06 128.47 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 25' ' ' LEU . 4.7 tp -90.98 118.06 30.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.457 ' HG ' ' NE2' ' A' ' 34' ' ' GLN . 1.3 m -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD2' HG13 ' A' ' 91' ' ' VAL . 28.5 p90 -134.28 160.99 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.7 m -127.36 112.04 21.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.29 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.09 -139.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.83 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -17.43 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 60.69 68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.565 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 41.7 m-80 66.03 -61.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.2 m -71.71 116.46 48.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.22 28.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.6 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.87 142.96 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLY . 40.5 p -122.85 -33.63 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -144.7 160.14 41.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 17.0 m-85 -134.46 107.26 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.8 mp -88.68 153.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 HD13 ' CH2' ' A' ' 37' ' ' TRP . 3.7 mt -133.1 155.03 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 11.8 mt-10 -150.63 171.11 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -158.49 160.21 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -134.84 147.59 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -91.5 93.84 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.96 -3.7 40.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 25.7 ttm -95.95 -4.56 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 41.5 m80 -140.6 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.77 91.68 28.86 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 122.82 7.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.75 -21.76 13.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 65' ' ' HIS . 12.4 tp -80.62 101.48 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 74.4 m95 -92.64 139.85 30.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.506 ' CE1' HD23 ' A' ' 63' ' ' LEU . 68.2 m-70 -128.63 140.12 51.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.07 123.2 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -97.94 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -171.52 152.8 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 pp20? -121.81 161.58 22.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.16 -175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 169.66 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.57 22.71 26.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.23 -34.29 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.476 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.9 pt20 -89.72 160.12 16.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -139.45 22.68 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.552 ' CG2' ' NE2' ' A' ' 34' ' ' GLN . 8.1 p -145.13 118.0 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.27 137.83 52.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 137.1 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -115.4 125.03 52.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.402 ' C ' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -87.82 107.83 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -103.52 161.23 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 163.33 48.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.589 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 145.18 31.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 20.7 m-85 62.32 73.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 87' ' ' TYR . 2.6 p 175.79 112.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.423 ' CB ' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -105.5 133.05 50.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CE1' HG21 ' A' ' 85' ' ' VAL . 4.7 p90 -165.17 164.04 20.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 m -103.95 -177.78 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -137.2 128.38 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.571 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -121.22 144.44 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.519 HG13 ' CD2' ' A' ' 37' ' ' TRP . 98.2 t -117.27 144.52 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' ILE . 3.9 mpp? -130.24 154.66 47.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' ILE . . . -123.04 140.55 52.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.7 t -134.76 133.95 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.6 p30 -131.79 -169.82 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -50.32 -37.74 38.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.424 ' HB ' ' OD1' ' A' ' 95' ' ' ASN . 6.9 mm -63.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.94 -159.26 11.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -97.09 143.29 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.364 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 88.3 p -96.27 164.97 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.86 163.34 1.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.95 135.42 19.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 79.0 p -43.78 159.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 31.9 mt-10 -37.9 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 159.08 90.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 1.2 p -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 156.47 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.41 95.99 5.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.649 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 2.1 t80 -79.82 130.8 35.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 21.1 m-85 -117.64 -172.58 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.625 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.8 m-20 164.23 52.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.625 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.2 m 49.79 162.57 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.07 121.27 6.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.94 164.56 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.08 21.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.95 179.32 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.65 14.78 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -48.25 133.11 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 149.17 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 35' ' ' LEU . 3.5 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.73 131.51 43.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' CD1' HD13 ' A' ' 25' ' ' LEU . 9.2 tp -100.58 113.96 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 m -97.29 117.35 31.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CE3' HG23 ' A' ' 91' ' ' VAL . 46.0 p90 -120.87 162.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 107.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.0 m -126.87 112.08 22.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 106.44 2.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.71 -145.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.082 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 153.73 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.1 m-20 -105.24 -17.4 14.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.5 m-80 60.47 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 13.4 m-80 66.66 -61.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.3 t -72.48 117.19 56.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.22 43.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.587 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -69.14 145.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLY . 69.0 p -125.49 -34.28 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -142.23 158.81 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 12.0 m-85 -134.02 107.36 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.561 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 mt -88.95 154.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.58 154.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -148.12 169.83 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 88' ' ' SER . 9.1 p90 -158.2 159.04 35.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -136.98 150.91 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.3 t0 -99.34 103.96 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.0 61.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.0 ttm -75.46 -13.5 60.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.407 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 21.9 m80 -119.97 -67.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mmmt -139.28 97.07 8.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.69 2.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.54 -23.2 4.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' A' ' 65' ' ' HIS . 12.2 tp -80.65 108.32 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 64.4 m95 -99.09 140.9 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.46 ' CE1' HD22 ' A' ' 63' ' ' LEU . 81.9 m-70 -125.71 152.55 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.6 116.15 6.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.08 -76.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -168.86 159.34 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -127.88 163.29 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -139.39 -175.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.82 168.85 17.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.3 23.31 19.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -38.19 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 7.1 pt20 -85.68 158.55 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 p -136.16 19.09 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 69.0 p -142.98 128.73 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.45 149.76 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -79.35 141.0 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -117.52 125.31 50.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -79.27 108.68 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.7 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 13.0 mt -108.35 147.02 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.44 160.97 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.607 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.94 137.18 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.607 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.2 m-85 64.91 79.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.564 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.4 p 173.43 103.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.419 ' CA ' HD23 ' A' ' 110' ' ' LEU . 15.7 t30 -86.79 147.9 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.564 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -177.61 171.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -112.3 -178.86 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 81' ' ' LEU . 42.2 m-85 -148.03 125.25 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.4 ptt180 -118.96 -177.84 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.55 HG23 ' CE3' ' A' ' 37' ' ' TRP . 89.0 t -144.58 145.28 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.436 ' N ' HG12 ' A' ' 91' ' ' VAL . 3.8 mpp? -129.51 154.27 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . . . -121.58 141.5 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.561 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -137.73 130.87 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 48.4 p30 -132.92 -171.33 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.4 m -42.01 -50.0 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.3 mm -52.27 -91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.73 -155.96 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -100.16 133.67 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.3 p -84.62 175.22 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.53 162.25 58.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 136.13 19.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -50.34 158.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 2.0 mt-10 -42.29 -77.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 159.39 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.72 163.46 9.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.46 150.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.54 96.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.7 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 3.8 t80 -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.419 HD23 ' CA ' ' A' ' 86' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 60.0 m-85 -72.83 -171.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 16' ' ' VAL . 10.3 m-20 164.59 51.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.85 162.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.97 125.18 9.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.603 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -48.05 162.85 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.53 35.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.0 10.48 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -151.75 177.64 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.97 28.66 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -62.53 131.45 49.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.8 147.81 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' A' ' 35' ' ' LEU . 3.1 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 136.34 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' CD1' HD12 ' A' ' 25' ' ' LEU . 4.2 tp -104.92 112.99 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -96.12 125.51 40.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.538 ' CD2' HG11 ' A' ' 91' ' ' VAL . 38.5 p90 -133.44 162.44 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -130.15 113.62 17.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 120.67 6.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -138.81 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.78 156.14 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -106.38 -15.61 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.603 HD22 ' ND2' ' A' ' 18' ' ' ASN . 1.3 m-80 60.7 67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 69.1 m-80 67.7 -60.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.3 m -73.28 117.39 59.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.9 23.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.581 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -52.8 142.71 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 20.6 p -123.22 -33.26 3.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -145.4 161.87 38.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 29.6 m-85 -137.68 103.51 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mt -89.19 157.37 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.1 mt -129.45 160.36 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 20.9 mt-10 -152.51 157.59 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -146.13 162.36 38.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -137.4 146.76 44.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -94.87 95.95 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.79 -22.94 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.414 ' HE3' ' N ' ' A' ' 86' ' ' ASN . 4.1 ttp -80.45 -10.63 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -129.83 -71.37 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -121.71 91.78 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.81 8.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.67 -24.24 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -78.72 110.2 13.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 86.1 m95 -101.38 133.29 46.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -122.58 147.42 46.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.638 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.3 132.1 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.68 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -173.16 156.11 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.9 pt-20 -128.07 162.0 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.36 -175.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 169.3 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.38 23.39 19.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.11 -38.06 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.481 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 7.1 pt20 -85.81 166.26 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -143.44 18.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 34.7 p -138.3 120.24 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.25 147.32 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.08 134.34 36.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -109.64 127.92 54.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.53 109.53 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.595 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 10.3 mt -105.86 147.53 28.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.63 159.91 48.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.595 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 139.43 24.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.796 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.7 m-85 64.3 72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.606 HG21 ' CD2' ' A' ' 87' ' ' TYR . 2.3 p 177.47 118.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.453 HD22 ' NE2' ' A' ' 108' ' ' GLN . 53.8 t30 -103.81 146.45 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.606 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -176.18 165.75 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -108.59 -179.09 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 109' ' ' TYR . 21.1 m-85 -134.88 122.42 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -118.7 129.42 55.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.538 HG11 ' CD2' ' A' ' 37' ' ' TRP . 66.1 t -100.81 141.62 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 3.7 mtm -124.93 154.52 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.51 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.0 135.33 55.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.64 131.81 66.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 54.8 p30 -132.63 -167.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.36 49.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.525 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.4 mm -60.65 -80.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.79 -159.32 14.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.05 134.43 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.4 p -87.67 177.72 6.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.22 162.37 61.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.03 142.59 27.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 17.2 p -50.34 161.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -35.68 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.24 89.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 1.2 p -47.16 161.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 146.54 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.453 ' NE2' HD22 ' A' ' 86' ' ' ASN . 10.8 mt-30 -70.78 96.07 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.595 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 2.0 t80 -79.84 115.26 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.3 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CB ' HD11 ' A' ' 97' ' ' ILE . 25.5 m-85 -116.87 -174.36 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 164.32 50.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.8 m 49.49 162.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 118.46 5.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -42.35 164.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.5 33.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.61 24.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -151.15 177.87 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.07 30.44 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD11 ' CB ' ' A' ' 37' ' ' TRP . 2.2 mp -60.28 131.94 52.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -158.85 148.47 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 35' ' ' LEU . 3.0 mm? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -115.85 134.64 54.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 25' ' ' LEU . 8.0 tp -107.75 112.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -97.68 116.55 30.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CD1' HG13 ' A' ' 91' ' ' VAL . 48.2 p90 -116.8 162.96 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m -126.32 107.28 24.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.349 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -75.08 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.41 -144.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.0 158.66 6.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.0 OUTLIER -109.23 -16.09 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.7 m-80 59.96 68.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.0 m-80 66.53 -62.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' ASN . 41.0 t -72.01 116.11 45.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.602 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -70.55 145.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.0 p -125.33 -32.9 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 50' ' ' PHE . 1.5 ttpt -144.39 157.31 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' A' ' 47' ' ' ILE . 21.6 m-85 -134.67 107.33 7.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' A' ' 66' ' ' HIS . 2.7 mp -87.77 151.39 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.409 HG21 ' O ' ' A' ' 90' ' ' ARG . 2.1 mp -125.16 153.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 52' ' ' ILE . 90.2 mt-10 -148.55 162.38 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -148.62 159.57 43.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.14 133.16 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.98 92.66 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.61 -26.55 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 ttm -73.73 -26.97 60.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -108.15 -69.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -136.42 101.69 9.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.31 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.13 -22.86 37.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' CD1' ' HE3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -80.3 106.99 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 62.3 m95 -94.7 136.46 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -126.28 150.67 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.572 ' CE1' HG22 ' A' ' 51' ' ' ILE . 3.5 t-80 -64.34 125.84 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.64 -75.21 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -164.65 163.48 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -130.97 164.43 25.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 ' CG1' ' CD ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.64 -175.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.38 170.06 15.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.92 32.67 4.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.83 -43.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.49 ' CD ' ' CG1' ' A' ' 70' ' ' VAL . 13.1 pt20 -79.15 143.0 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -119.2 16.17 13.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.0 p -139.41 129.92 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.64 150.46 44.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.26 134.77 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.41 136.02 53.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.33 109.83 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 HD23 ' CE1' ' A' ' 87' ' ' TYR . 27.9 mt -107.06 159.72 16.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.51 161.22 64.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.04 141.64 26.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 16.0 m-85 63.81 74.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.592 HG21 ' CD2' ' A' ' 87' ' ' TYR . 2.2 p -179.47 123.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.407 ' OD1' ' NE2' ' A' ' 108' ' ' GLN . 11.5 t-20 -106.38 147.08 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.4 OUTLIER 179.03 -179.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -178.37 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' HD22 ' A' ' 81' ' ' LEU . 26.2 m-85 -130.87 121.34 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 2.5 ttp180 -109.22 158.82 17.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 37' ' ' TRP . 76.4 t -137.33 135.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.3 mtm -125.3 153.0 43.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.08 137.8 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -133.14 128.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 56.4 p30 -132.82 -169.34 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -46.6 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CG2' HG12 ' A' ' 16' ' ' VAL . 4.6 mm -56.64 -87.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.09 -154.56 7.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -102.69 119.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 47.9 p -69.38 178.03 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -69.77 161.93 71.3 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 144.54 30.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 p -55.25 157.81 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 24.5 mt-10 -39.32 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.12 115.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -56.28 165.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 155.01 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 86' ' ' ASN . 7.2 mt-30 -78.31 96.73 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 110' ' ' LEU . 1.3 t80 -105.42 122.25 45.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.566 ' O ' ' CE1' ' A' ' 109' ' ' TYR . 29.1 tp . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.7 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 33.2 m-85 -102.69 -169.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.2 m-20 159.18 52.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.0 m 49.62 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -75.0 122.72 7.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.76 163.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.21 33.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 175.51 11.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' HG22 ' A' ' 38' ' ' THR . 32.5 p90 -151.51 176.68 11.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 25.22 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CD1' ' CB ' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -58.9 134.15 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.46 154.87 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.581 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . 1.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 109' ' ' TYR . 12.0 p . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -106.02 128.11 53.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' CD1' HD13 ' A' ' 25' ' ' LEU . 41.7 tp -106.23 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -97.23 119.09 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -122.21 163.95 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.532 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 55.2 m -125.86 110.76 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.02 117.09 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.82 -139.84 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -58.37 155.4 11.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.43 -16.29 14.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 59.45 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 35.0 m-80 66.65 -61.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 m -71.21 114.35 26.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.33 26.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.01 142.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -122.86 -33.56 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -145.62 160.4 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 22.9 m-85 -136.16 103.71 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CG1' ' HB3' ' A' ' 69' ' ' GLU . 3.0 mt -88.72 152.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.8 mp -130.54 161.0 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 23.8 mt-10 -155.83 153.06 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -137.81 159.42 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.31 143.32 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -88.77 99.21 12.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.93 -19.96 50.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 58' ' ' MET . 36.4 ttm -78.38 -5.55 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -135.64 -69.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -128.41 93.17 39.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.53 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.2 -3.78 6.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -98.45 100.85 12.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 33.6 m95 -93.19 140.58 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -128.76 142.85 50.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.89 110.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -86.63 -78.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -170.42 154.5 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 pt-20 -127.3 159.76 33.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.404 HG12 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.75 -175.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -179.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -100.87 18.85 54.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -30.3 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -87.47 171.53 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 p -146.16 16.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 3.7 p -140.49 127.15 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -136.35 163.61 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 79' ' ' LEU . 6.7 mt-30 -104.65 148.76 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -124.5 119.62 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.62 106.57 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -128.28 163.67 24.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.9 168.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.04 151.3 39.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 40.1 m-85 59.31 56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' O ' ' CZ ' ' A' ' 87' ' ' TYR . 99.2 t -157.5 111.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' C ' ' CG ' ' A' ' 87' ' ' TYR . 64.9 t30 -88.27 161.45 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' A' ' 86' ' ' ASN . 0.1 OUTLIER 169.5 168.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.447 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.4 p -107.6 -178.9 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -143.75 122.87 12.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.9 ptt180 -118.2 132.19 56.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG11 ' CD2' ' A' ' 37' ' ' TRP . 93.0 t -103.28 146.97 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.4 mtm -131.72 151.69 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.524 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.89 135.95 54.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.28 131.18 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.4 p30 -132.65 -167.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.79 -41.98 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -60.49 -85.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.24 -153.39 6.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -105.5 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 81.3 p -64.19 -177.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.02 161.01 77.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.24 24.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLU . 83.6 p -45.05 152.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 63.0 mt-10 -35.02 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.61 96.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 1.6 t -44.9 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -56.81 173.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.457 ' NE2' HD22 ' A' ' 86' ' ' ASN . 6.8 mt-30 -91.17 96.21 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 59.3 t80 -92.34 125.95 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 98.3 m-85 -73.39 -179.76 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.613 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.6 m-20 168.47 49.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' O ' ' A' ' 15' ' ' ASP . 29.5 m 50.03 162.24 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.455 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -49.35 164.15 0.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.63 34.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.7 17.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -151.96 174.76 13.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.73 23.93 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 106' ' ' SER . 1.5 mp -59.82 133.8 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.72 152.18 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 35' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.59 HG23 ' CE2' ' A' ' 109' ' ' TYR . 9.9 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.57 130.51 35.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 25' ' ' LEU . 28.3 tp -109.27 111.2 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -100.01 117.09 33.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CD1' HG12 ' A' ' 91' ' ' VAL . 38.3 p90 -122.63 163.33 20.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.0 m -129.28 111.62 18.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.39 -141.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -59.05 157.84 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.63 -17.05 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.539 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.6 m-80 60.6 66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.576 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.0 m-80 68.04 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.496 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 32.2 m -72.11 113.88 24.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.22 32.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.583 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.66 142.12 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLY . 30.2 p -126.3 -32.11 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -138.69 158.86 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 5.2 m-85 -137.68 104.72 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.546 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 mp -88.85 155.66 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mt -132.53 158.18 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 27.2 mt-10 -155.85 140.3 16.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' SER . 5.9 p90 -129.64 158.89 38.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.83 155.9 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -100.91 89.32 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.18 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 85' ' ' VAL . 1.3 tpp -79.97 -25.68 40.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -117.37 -70.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -115.58 91.14 28.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 120.98 -18.68 8.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -81.76 106.36 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 37.6 m95 -98.33 144.58 27.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -130.48 135.33 47.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.642 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.409 ' CE1' HG23 ' A' ' 51' ' ' ILE . 5.5 t-80 -52.7 104.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -79.63 -72.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -171.84 164.49 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -126.71 173.03 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -147.93 -176.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.68 25.73 10.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.33 -38.35 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.49 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.7 pt20 -83.11 164.72 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 p -142.06 15.24 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 p -139.59 127.5 22.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.37 149.51 44.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.23 131.41 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.527 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 7.5 mt -107.62 139.78 41.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.517 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 7.8 p-10 -106.31 112.73 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -128.58 162.46 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.3 158.47 32.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.99 161.16 39.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 57.87 46.15 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.637 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 55.9 t -159.21 132.38 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.509 ' C ' ' CD2' ' A' ' 87' ' ' TYR . 6.9 t-20 -101.71 152.15 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CE2' ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -176.49 165.99 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.5 p -114.05 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 88' ' ' SER . 25.3 m-85 -148.75 130.76 15.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.62 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -127.12 147.66 50.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.579 HG12 ' CD1' ' A' ' 37' ' ' TRP . 46.7 t -117.03 132.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.6 mtm -115.39 152.75 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.52 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.5 139.88 51.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -138.97 130.02 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 40.0 p30 -133.0 -172.14 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -37.89 -49.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 3.2 mm -54.86 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.8 -156.48 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.44 ' CA ' HG12 ' A' ' 94' ' ' VAL . 15.7 ttpp -99.66 134.24 42.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.2 p -85.19 -176.04 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.47 160.91 78.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.41 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 143.16 28.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLU . 26.9 p -52.09 154.74 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 39.8 mt-10 -35.42 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.07 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 47.1 p -42.66 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 153.57 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -72.4 96.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 33' ' ' VAL . 58.3 t80 -95.09 117.29 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' VAL . 7.8 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 86.1 m-85 -69.19 -171.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.3 m-20 158.63 50.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 22.0 m 49.11 162.9 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.1 119.22 5.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.555 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.3 m-80 -40.61 159.45 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.67 36.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.7 34.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -145.25 -178.4 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER 61.88 14.68 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -40.22 124.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.11 167.37 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 11.8 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 27.6 tt0 -101.7 122.36 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 22.6 tp -96.25 111.19 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -97.62 116.08 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CE3' ' O ' ' A' ' 35' ' ' LEU . 48.9 p90 -115.67 163.13 16.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -120.17 109.93 36.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.03 -150.01 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.97 164.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 -17.5 12.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.555 HD22 ' ND2' ' A' ' 18' ' ' ASN . 1.7 m-80 61.04 67.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 71.5 m-80 67.93 -61.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.3 m -72.77 115.62 41.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.54 30.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.604 HG13 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -59.62 146.93 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 72' ' ' GLY . 68.3 p -126.12 -30.88 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -149.02 159.0 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 39' ' ' PRO . 37.6 m-85 -135.25 104.27 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.6 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 2.5 mp -89.04 156.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 53' ' ' GLU . 2.3 mp -130.8 139.12 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ARG . 13.6 mt-10 -132.18 149.09 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' SER . 14.8 p90 -135.31 155.67 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -130.41 144.17 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.254 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' MET . 13.4 t0 -93.96 118.77 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.18 -9.06 43.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.464 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 15.8 ttm -91.85 -11.55 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 39.4 m80 -129.07 -78.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mtmt -118.62 94.36 47.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.96 23.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.21 -9.0 77.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 HD23 ' CE1' ' A' ' 65' ' ' HIS . 14.9 tp -93.88 103.0 15.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 41.9 m95 -95.57 139.15 32.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.465 ' CE1' HD23 ' A' ' 63' ' ' LEU . 77.6 m-70 -121.71 178.09 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.6 ' CE1' ' CG2' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -85.86 125.61 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -102.43 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.1 t -163.83 155.27 16.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -132.97 151.9 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.46 -175.64 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.61 178.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.11 6.97 81.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.95 -8.29 13.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -85.66 158.85 19.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 74' ' ' GLN . 18.9 p -146.21 14.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.46 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 74.1 p -153.24 132.39 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.1 144.26 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 4.6 mt-30 -73.63 135.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 89' ' ' PHE . 7.8 mt -113.78 123.99 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.15 108.53 13.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.549 HD11 ' CE1' ' A' ' 109' ' ' TYR . 14.0 mt -107.33 148.44 29.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -111.78 178.97 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -74.95 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -77.46 89.06 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' A' ' 87' ' ' TYR . 1.1 p -176.39 139.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.508 ' CB ' HD21 ' A' ' 110' ' ' LEU . 34.2 t30 -123.85 147.42 47.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.653 ' CD2' HG21 ' A' ' 85' ' ' VAL . 1.3 p90 178.39 -174.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -125.92 -177.32 3.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 81' ' ' LEU . 24.3 m-85 -130.37 122.1 27.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.616 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 1.8 ttp180 -113.66 158.83 20.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.14 135.39 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.427 ' HE2' ' N ' ' A' ' 53' ' ' GLU . 2.2 mtm -125.2 154.83 40.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.506 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . . . -122.92 133.56 54.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.545 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -124.72 129.86 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.7 p30 -132.04 -167.97 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -40.06 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.471 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.9 mm -65.65 -85.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.71 -154.37 7.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.83 119.02 38.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 46.1 p -68.29 168.13 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.48 162.97 1.46 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -74.95 145.17 31.33 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 57.5 p -55.5 152.54 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 22.3 mt-10 -37.6 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 160.74 110.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 168.88 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.57 160.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.24 96.27 8.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.549 ' CE1' HD11 ' A' ' 81' ' ' LEU . 2.0 t80 -78.66 123.06 26.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.508 HD21 ' CB ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 23.8 m-85 -117.48 -168.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 6.9 m-20 157.03 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.5 m 50.04 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.01 120.37 6.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.414 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.6 m-80 -44.64 161.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.85 38.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -151.95 -174.55 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.35 19.36 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.67 153.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.62 165.18 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 79' ' ' LEU . 4.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 13.1 tt0 -128.36 133.5 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -102.76 121.19 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -112.42 102.72 10.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.576 ' CD1' HG11 ' A' ' 91' ' ' VAL . 43.2 p90 -107.23 163.53 12.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.2 m -127.86 112.78 20.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.07 122.89 7.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.39 -142.89 1.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.572 1.17 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.5 159.12 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.94 -18.08 13.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 61.08 68.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.9 m-80 66.85 -62.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -72.63 117.33 58.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.14 37.89 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.607 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -63.67 144.2 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 33.4 p -122.86 -35.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -143.81 159.23 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 22.7 m-85 -135.28 107.54 7.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.8 mp -89.17 151.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' CH2' ' A' ' 37' ' ' TRP . 2.2 mp -127.33 158.13 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -155.44 156.28 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -142.14 157.5 44.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -123.93 138.24 54.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -89.17 91.12 8.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.59 66.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.85 -31.88 66.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -102.83 -68.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -138.42 103.47 7.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.86 11.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.83 -18.06 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 65' ' ' HIS . 14.3 tp -85.3 102.13 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.238 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 52.8 m95 -92.36 144.62 25.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.046 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 63' ' ' LEU . 93.3 m-70 -129.46 153.44 47.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -67.29 107.16 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.27 -77.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -168.57 160.65 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.64 167.48 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -178.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.02 170.17 13.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.44 19.9 37.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.3 -36.28 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' OE1' ' N ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.79 170.81 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.5 p -152.33 20.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.414 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 16.4 p -141.51 120.02 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.41 138.34 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 130.08 38.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 89' ' ' PHE . 6.8 mt -109.04 142.25 40.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -96.86 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 12.3 mt -107.27 154.88 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.87 163.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 136.56 20.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 11.2 m-85 64.2 56.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 87' ' ' TYR . 4.9 t -151.61 95.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -82.51 142.55 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CD2' HG11 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -179.18 174.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.429 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.1 p -116.8 179.89 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 84.4 m-85 -145.37 122.14 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -113.55 -175.86 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 37' ' ' TRP . 76.8 t -154.68 133.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 mtm -118.89 146.19 45.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.519 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -111.41 135.65 51.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.2 t -130.29 129.63 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 55.0 p30 -133.21 -167.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.92 -44.05 14.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' A' ' 16' ' ' VAL . 6.3 mm -60.59 -88.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.06 -156.63 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -96.22 133.26 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.8 p -86.01 174.65 9.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -62.57 159.12 45.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.02 27.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLU . 53.8 p -49.55 151.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -35.92 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 163.31 109.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 170.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 162.78 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.01 97.92 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 117.02 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 168.71 6.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.959 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -159.67 115.17 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.08 -178.26 20.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.04 152.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.97 167.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.66 91.94 1.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 117.88 5.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -175.3 123.94 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 64.5 6.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.6 138.24 21.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.02 -170.53 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -151.89 131.4 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 9.8 m-85 -117.42 -165.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.4 m-20 157.24 54.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.631 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.68 161.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 122.24 7.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.99 160.8 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.95 39.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 171.97 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 38' ' ' THR . 25.2 p90 -149.74 178.43 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 17.34 7.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.13 133.16 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mt -135.63 107.91 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -141.8 137.56 31.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -146.85 -172.5 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 3.6 pt20 175.15 40.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.61 -75.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.47 -71.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 56.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.7 p -178.15 105.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 8.2 p -91.8 146.22 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 134.91 45.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.0 tp -104.81 112.56 25.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.01 122.32 38.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 91' ' ' VAL . 34.7 p90 -127.77 163.8 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.565 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 8.9 m -128.64 111.36 19.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 111.99 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.11 -138.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.06 155.09 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -107.2 -16.57 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.619 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.2 m-80 61.0 67.97 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 12.3 m-80 66.86 -61.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.8 t -72.63 117.52 59.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.85 42.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.612 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -68.65 143.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.9 p -122.36 -35.09 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -144.31 160.54 40.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 22.2 m-85 -135.9 104.75 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.49 HD13 ' CG2' ' A' ' 94' ' ' VAL . 3.2 mt -88.99 155.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.5 mp -132.58 160.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 24.5 mt-10 -155.37 159.58 40.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -145.77 158.35 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.14 128.62 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -73.35 93.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.24 -25.3 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -78.03 -9.14 58.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -127.46 -68.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 mtmt -135.61 96.71 13.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.51 4.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.61 -1.28 9.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 HD23 ' CE1' ' A' ' 65' ' ' HIS . 11.4 tp -103.5 95.53 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 50.0 m95 -85.76 135.95 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CE1' HD23 ' A' ' 63' ' ' LEU . 82.8 m-70 -124.62 172.32 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.2 116.33 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.89 -77.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -168.22 160.87 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pp20? -130.4 171.58 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -149.19 -175.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.72 169.6 17.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 22.55 24.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.67 -37.6 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.487 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 5.9 pt20 -84.13 166.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -142.37 14.76 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -138.22 120.83 16.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.67 146.08 51.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.43 137.5 33.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 89' ' ' PHE . 9.9 mt -115.13 136.79 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -93.55 110.23 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 87' ' ' TYR . 15.3 mt -108.89 159.95 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.66 165.56 32.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 140.24 25.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 63.75 52.16 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 87' ' ' TYR . 2.1 t -147.26 129.75 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.72 143.89 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER 178.25 170.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.71 -179.06 3.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 79' ' ' LEU . 74.2 m-85 -139.42 121.6 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.606 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.0 ptt180 -116.73 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.538 HG13 ' CG ' ' A' ' 37' ' ' TRP . 79.0 t -102.38 143.97 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.5 mtm -128.06 151.38 49.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.524 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -118.28 133.96 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.49 ' CG2' HD13 ' A' ' 51' ' ' ILE . 2.5 t -129.12 131.25 68.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.4 p30 -132.72 -167.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -37.85 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -63.71 -77.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.63 -160.74 20.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' HG3' ' CG2' ' A' ' 94' ' ' VAL . 20.8 ttmt -98.29 129.11 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 79.1 p -80.69 179.96 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -70.68 161.56 76.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 144.66 30.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.8 p -49.56 152.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 6.6 mt-10 -35.53 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.87 104.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.4 p -60.37 174.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.7 168.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.49 96.97 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.77 117.44 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.24 120.26 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.9 p -64.05 178.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -75.68 142.6 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -141.79 -166.51 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -85.8 45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 116' ' ' PRO . 11.3 tt0 175.81 139.73 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' N ' ' HG2' ' A' ' 115' ' ' GLU . 18.4 Cg_endo -75.01 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.34 130.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.72 -91.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.11 136.59 31.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.22 2.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.5 p -111.0 97.53 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.0 p -86.67 157.15 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -169.52 157.13 28.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 78.45 2.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -88.65 130.74 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t 61.13 87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -161.13 146.08 13.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -160.14 162.04 33.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 -130.06 4.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.65 99.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -146.49 151.86 38.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.75 118.91 6.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.07 4.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -76.6 -50.58 2.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.9 -57.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.54 35.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -167.1 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.7 p -130.83 117.67 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 19.6 m-85 -95.89 -164.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.4 m-20 158.37 51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.9 m 49.96 162.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.03 120.88 6.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.513 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.6 m-80 -45.73 164.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.18 39.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.36 170.25 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.05 18.73 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -50.15 130.82 23.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.46 159.27 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.97 112.36 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -146.13 136.61 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -146.43 -168.65 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.12 -46.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.04 128.91 34.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.78 95.68 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.0 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -134.4 117.13 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.046 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' HD12 ' A' ' 81' ' ' LEU . 4.9 p -86.26 138.96 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 18.7 tt0 -91.63 131.4 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -107.5 111.47 23.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -96.3 121.96 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CD2' HG13 ' A' ' 91' ' ' VAL . 47.1 p90 -126.62 162.94 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -128.89 111.77 18.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.04 112.27 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.52 -149.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -50.71 158.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.9 m-20 -110.68 -17.03 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.66 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER 60.79 68.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 50.8 m-80 66.66 -62.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 31.8 t -72.22 117.37 57.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.2 41.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.599 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -65.54 144.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.5 p -124.52 -34.1 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -144.73 160.5 41.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 23.4 m-85 -136.07 105.92 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.521 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mt -89.08 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.0 mp -126.45 160.57 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -155.03 159.86 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.55 163.28 37.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -145.29 148.91 33.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 58' ' ' MET . 27.7 t0 -91.64 131.99 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.29 -19.1 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' MET . 13.3 ttp -89.13 -4.22 58.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 24.2 m80 -129.83 -74.96 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -128.71 94.1 35.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.98 18.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.28 -15.37 57.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 65' ' ' HIS . 11.0 tp -86.54 103.09 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 55' ' ' GLU . 80.6 m95 -95.95 140.85 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.495 ' CE1' HD21 ' A' ' 63' ' ' LEU . 64.8 m-70 -129.54 152.26 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -65.38 128.29 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.616 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.35 -73.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -169.17 166.2 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -133.0 170.73 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.491 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -146.34 -176.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 169.17 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 26.2 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -40.88 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.491 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.7 pt20 -81.06 158.6 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -136.34 20.9 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 47.4 p -146.05 128.8 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.47 151.42 48.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.96 138.25 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 89' ' ' PHE . 16.9 mt -121.14 132.58 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.08 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' CE2' ' A' ' 89' ' ' PHE . 8.9 mt -107.83 154.01 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.0 m -118.66 161.53 35.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.5 Cg_endo -74.96 139.53 24.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.2 m-85 71.95 50.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG13 ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -152.98 116.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.27 129.05 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CE2' HG13 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -166.59 170.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.065 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.433 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 58.7 m -108.0 -179.51 3.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' HD21 ' A' ' 81' ' ' LEU . 49.8 m-85 -148.56 123.65 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -117.03 175.81 5.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 37' ' ' TRP . 30.3 t -137.45 134.02 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.413 ' N ' ' HE3' ' A' ' 92' ' ' MET . 3.6 mtm -117.9 151.75 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.521 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -118.26 138.41 52.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -133.8 131.2 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.5 p30 -132.6 -167.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -44.58 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.1 mm -58.2 -82.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.78 -157.74 11.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -96.37 135.07 38.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 78.3 p -87.05 176.86 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.62 161.74 49.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.31 30.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 104' ' ' GLU . 19.1 p -51.43 156.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.2 mm-40 -37.06 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.77 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 p -61.83 162.07 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.67 150.25 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.6 101.46 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.72 123.27 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 119' ' ' ASN . 0.4 OUTLIER -124.33 113.04 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -68.0 165.23 18.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -53.29 134.13 39.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -137.97 51.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.6 m 40.4 51.61 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.76 149.58 17.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.49 163.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.77 92.37 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 0.1 OUTLIER 72.36 107.56 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.7 m -61.53 101.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.9 143.15 45.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -107.35 -143.78 11.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.9 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.1 m -144.84 94.58 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t 54.65 90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -174.14 166.81 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -162.94 138.46 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.22 -178.01 27.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -80.0 161.71 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -142.17 100.89 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.57 -156.54 8.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 72.32 4.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -136.46 89.93 18.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 88.11 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.62 138.46 11.96 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -151.3 133.75 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.487 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 13.8 m-85 -116.91 -170.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.621 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.3 m-20 161.37 52.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' O ' ' A' ' 15' ' ' ASP . 32.6 m 50.03 162.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.01 120.88 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -44.78 163.27 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 150.46 38.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -151.43 174.32 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.21 25.2 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -52.32 133.99 34.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.6 167.61 24.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.32 118.24 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -149.49 124.88 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -146.33 -178.27 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -175.78 40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.54 -75.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.16 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -131.02 56.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.3 p -166.05 90.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.483 HG23 ' CE2' ' A' ' 109' ' ' TYR . 3.2 p -84.82 129.92 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.416 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 7.6 tt0 -87.94 142.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 33.3 tp -116.22 111.8 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 m -99.37 118.43 35.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CG ' HG13 ' A' ' 91' ' ' VAL . 48.0 p90 -121.03 163.89 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 m -126.41 109.7 23.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.99 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.16 -141.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.89 157.58 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.3 m-20 -109.3 -16.08 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.56 67.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 11.2 m-80 66.67 -61.35 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.5 t -72.41 117.1 55.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.23 43.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.61 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.67 143.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 35.6 p -121.74 -34.3 3.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -144.89 158.71 43.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 20.4 m-85 -134.03 105.2 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.487 HD12 ' CG2' ' A' ' 94' ' ' VAL . 3.2 mt -88.77 152.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -128.38 160.61 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 44.8 mt-10 -154.68 162.66 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -148.3 160.88 42.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.15 144.79 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 59' ' ' HIS . 40.8 t0 -92.8 102.48 14.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.22 -18.64 57.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 34.4 ttm -82.77 -7.33 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 17.4 m80 -132.59 -70.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 95.16 32.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 108.56 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.56 -18.96 5.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' NE2' ' A' ' 65' ' ' HIS . 11.6 tp -79.82 104.9 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -93.54 136.75 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.418 ' NE2' HD21 ' A' ' 63' ' ' LEU . 78.6 m-70 -128.37 145.88 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.464 ' CE1' HG21 ' A' ' 51' ' ' ILE . 1.6 t-80 -57.05 119.31 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -72.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 155.35 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -124.94 168.65 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.516 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -144.45 -175.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 168.94 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.73 33.64 4.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.47 -44.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.516 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 15.3 pt20 -77.13 147.26 36.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -123.68 18.4 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 52.3 p -137.24 128.53 28.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.29 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -78.1 134.2 37.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 6.8 mt -110.97 135.48 51.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -93.57 108.87 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 5.6 mt -105.5 160.54 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.3 m -134.85 154.78 79.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.575 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 135.03 18.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 83' ' ' PRO . 4.2 m-85 68.59 47.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.56 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 16.0 t -152.17 98.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.515 ' CB ' HD22 ' A' ' 110' ' ' LEU . 47.2 t30 -82.79 147.93 28.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER 176.68 170.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 p -113.47 -178.57 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 75.9 m-85 -150.15 124.16 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 1.0 OUTLIER -115.04 -176.25 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG13 ' CG ' ' A' ' 37' ' ' TRP . 50.5 t -146.6 132.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.3 mtm -117.02 152.23 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.525 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.33 135.85 54.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.487 ' CG2' HD12 ' A' ' 51' ' ' ILE . 2.5 t -130.79 131.2 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 55.1 p30 -132.66 -167.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.89 -41.92 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.471 HD12 ' CG ' ' A' ' 14' ' ' TYR . 5.0 mm -60.03 -80.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.5 -159.55 15.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -97.73 126.96 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 58.7 p -79.0 175.28 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.91 161.92 57.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 143.69 29.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.2 p -53.94 156.86 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 36.7 mt-10 -38.46 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.99 114.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.26 166.0 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.63 158.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.45 96.93 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.483 ' CE2' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -83.67 118.49 23.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.515 HD22 ' CB ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -116.15 124.98 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.5 p -77.35 157.54 30.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -56.58 156.62 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 84' ' ' TYR . . . -164.05 130.7 3.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -62.37 79.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER 169.44 120.67 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.77 33.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -158.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.98 77.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.515 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 1.1 m-20 168.8 -53.66 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 119' ' ' ASN . 18.4 Cg_endo -75.0 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.35 148.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.7 t 176.93 147.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -162.52 154.01 24.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -123.97 104.71 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 p -169.49 111.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -104.49 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 59.76 96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.1 161.47 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -99.26 161.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.06 153.41 50.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.96 -153.68 24.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.92 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -143.98 89.2 7.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -155.62 138.69 10.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 170.06 21.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.01 86.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 84.9 m-85 -74.39 -178.53 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 167.02 49.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.8 m 49.95 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.99 121.76 6.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.4 m-80 -45.94 164.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.63 37.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.49 174.56 13.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.67 21.02 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.24 141.11 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.71 167.6 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -138.51 103.66 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -143.77 137.11 27.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -146.67 -167.34 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -133.74 -46.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.94 124.68 37.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -74.34 94.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 172.71 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.04 92.11 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p -75.31 148.33 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.544 ' NE2' ' CG2' ' A' ' 76' ' ' THR . 9.6 tm0? -103.84 131.12 51.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 tp -101.74 116.95 33.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -99.11 126.52 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CD1' HG12 ' A' ' 91' ' ' VAL . 47.6 p90 -131.06 162.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.6 m -129.55 110.19 17.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 109.48 2.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.37 -140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.075 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -58.5 158.21 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -107.82 -17.38 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 1.9 m-80 61.07 65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.7 m-80 68.07 -60.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.483 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 4.4 m -72.99 116.81 54.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.04 36.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.606 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -64.61 142.42 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' GLY . 44.0 p -125.33 -33.51 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 50' ' ' PHE . 1.9 ttpt -139.61 157.28 46.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.606 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 8.2 m-85 -134.9 103.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.3 mt -88.57 154.62 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.07 158.95 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 22.3 mt-10 -155.53 161.06 40.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -143.65 156.04 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -120.34 133.77 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.17 90.8 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.46 -9.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.5 ttm -84.94 -24.99 28.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -122.47 -75.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.8 96.78 45.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.88 34.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 65' ' ' HIS . 14.6 tp -80.0 101.26 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 81.6 m95 -89.78 140.96 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.063 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.427 ' CE1' HD22 ' A' ' 63' ' ' LEU . 94.0 m-70 -125.63 159.51 31.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.639 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -73.15 110.91 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.91 -73.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -171.49 159.23 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -127.93 160.3 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.434 HG21 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.15 -175.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.62 164.09 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -82.43 4.76 76.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.0 p -96.17 -21.86 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 76' ' ' THR . 2.4 pt20 -104.81 169.15 8.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p -147.1 20.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.544 ' CG2' ' NE2' ' A' ' 34' ' ' GLN . 2.9 p -143.55 124.98 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.23 151.52 51.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -85.56 130.38 34.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 89' ' ' PHE . 6.1 mt -108.45 130.94 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -91.77 109.16 20.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.463 HD22 ' CZ ' ' A' ' 89' ' ' PHE . 9.5 mt -103.42 148.54 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -122.87 159.15 54.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 138.36 22.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m-85 70.24 46.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.433 ' CG2' ' C ' ' A' ' 84' ' ' TYR . 1.3 t -150.17 117.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.18 137.18 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -176.28 172.04 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.42 -179.33 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' A' ' 79' ' ' LEU . 52.2 m-85 -136.52 122.18 19.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 3.3 ptt180 -115.44 139.11 50.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG12 ' CD1' ' A' ' 37' ' ' TRP . 61.4 t -110.91 135.69 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.2 mtm -119.55 153.89 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.62 136.41 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.486 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -131.54 130.11 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 56.5 p30 -132.59 -170.01 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -44.23 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.493 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -59.59 -89.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.16 -155.3 7.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -100.36 127.57 46.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 65.8 p -78.43 -179.1 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.0 mt -72.06 161.59 78.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.0 146.12 32.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 24.5 p -54.12 154.79 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 51.5 mt-10 -36.85 -80.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 163.02 110.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.7 p -65.34 -179.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 172.4 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -96.6 96.96 9.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.5 116.56 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.1 tp -126.19 114.99 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.3 p -73.9 172.26 11.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -51.42 130.98 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -145.87 56.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.83 57.89 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.76 148.03 1.69 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ASP . 18.2 Cg_endo -74.99 -59.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' PRO . 2.7 t0 -39.9 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -84.68 -60.86 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -134.1 133.46 21.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.61 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.4 m -73.47 124.22 25.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.73 156.24 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -93.69 -144.27 15.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.98 5.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.81 132.77 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.3 t -103.9 127.78 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -104.72 129.78 52.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.61 140.25 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.57 158.46 8.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -144.99 -57.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -71.64 146.05 48.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.34 101.05 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.96 28.52 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -175.42 124.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 137.59 3.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -74.99 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 p -132.09 110.17 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 45.2 m-85 -95.06 -175.26 3.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 11.9 m-20 166.31 50.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.1 m 49.87 162.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.5 Cg_endo -75.01 122.29 7.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.48 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.4 m-80 -46.44 165.23 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.98 34.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.18 20.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -151.32 174.35 13.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER 72.25 9.9 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.9 mp -40.79 137.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.47 164.14 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mt -138.11 102.59 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.0 p -143.36 121.78 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 2.9 p-10 -146.5 158.96 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -132.89 60.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -147.29 -48.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 8.1 t70 78.33 75.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt 170.3 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 m -138.47 70.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.48 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 14.8 p -55.05 148.38 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' N ' HG21 ' A' ' 33' ' ' VAL . 5.0 tm0? -99.32 121.55 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -93.02 117.96 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 128.69 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.9 p90 -134.46 160.76 37.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 107.987 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.4 m -127.19 110.0 21.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.02 108.99 2.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.2 -140.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 156.09 12.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -106.97 -16.34 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.582 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.3 m-80 60.27 67.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.556 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 55.4 m-80 66.54 -61.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 m -71.63 115.96 42.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 142.4 27.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.444 1.76 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.599 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.31 141.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -121.99 -33.43 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -146.06 160.24 42.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 24.9 m-85 -135.55 105.32 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mt -89.39 156.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -132.02 158.66 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 16.2 mt-10 -154.9 152.63 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -137.82 161.58 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -130.01 135.99 48.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.79 98.06 10.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.05 -22.88 44.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.4 ttm -78.53 -0.21 28.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.88 -69.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -131.4 93.88 28.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.68 5.76 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.32 -12.88 12.46 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 65' ' ' HIS . 10.7 tp -92.02 97.08 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 78.0 m95 -88.53 140.24 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.422 ' CE1' HD21 ' A' ' 63' ' ' LEU . 60.3 m-70 -129.08 161.29 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.5 126.96 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.569 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.67 -75.55 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -167.99 165.55 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -136.24 166.77 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.482 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.56 -176.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.03 170.08 14.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.21 27.53 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.67 -41.07 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.482 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.7 pt20 -80.2 156.25 27.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -133.29 18.25 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 p -141.49 118.13 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.09 136.9 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.58 138.83 51.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' A' ' 89' ' ' PHE . 7.5 mt -114.96 121.61 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.403 ' C ' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -83.22 107.76 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD21 ' C ' ' A' ' 80' ' ' ASN . 6.7 mt -102.76 152.84 20.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.454 ' OG ' ' CG1' ' A' ' 85' ' ' VAL . 6.0 p -118.68 159.64 43.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.611 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.0 Cg_endo -75.08 138.25 22.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.611 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.5 m-85 64.32 74.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG22 ' CE1' ' A' ' 87' ' ' TYR . 2.7 p 178.15 113.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.418 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 28.8 t30 -100.75 146.34 27.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.533 ' CE1' HG22 ' A' ' 85' ' ' VAL . 13.8 p90 179.08 165.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -106.76 -177.69 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' CD1' HD13 ' A' ' 79' ' ' LEU . 52.5 m-85 -137.98 135.85 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.56 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.91 130.1 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.6 t -101.08 135.88 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.8 mtm -121.48 154.3 36.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.499 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.74 137.16 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.509 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -132.02 131.88 61.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.479 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.2 p30 -132.71 -167.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -42.05 31.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 5.1 mm -60.7 -82.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.11 -156.96 10.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -97.61 128.85 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 54.3 p -82.53 177.95 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 mt -69.77 161.77 72.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.01 28.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.1 p -50.17 163.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 47.0 mt-10 -36.61 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.44 95.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.3 167.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -56.48 164.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -90.06 100.41 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.93 129.8 34.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 111' ' ' THR . 8.7 tp -118.06 119.81 35.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.409 ' N ' HD13 ' A' ' 110' ' ' LEU . 77.4 p -68.3 -176.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -72.25 160.35 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.567 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -170.47 -171.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.28 65.95 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.0 139.13 0.44 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t0 70.42 169.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.15 -77.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -125.77 99.86 31.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 95.36 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -129.33 -54.89 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.8 t -113.63 -59.43 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.86 168.5 30.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.5 p -165.81 160.81 17.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.45 144.13 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 55.78 166.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.35 135.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.63 -165.63 26.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.03 165.95 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -140.58 154.39 46.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -149.05 5.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 74.35 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -174.87 123.81 0.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.45 136.01 14.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 -170.87 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -152.0 128.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 8.7 m-85 -116.3 -164.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.3 m-20 156.56 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.4 m 49.56 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -46.12 163.68 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -151.88 174.34 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.41 10.01 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.03 144.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.6 167.39 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD23 ' CE2' ' A' ' 89' ' ' PHE . 2.6 mt -134.8 108.08 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -150.37 126.85 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -144.37 171.79 13.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -143.07 34.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.68 114.7 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.25 65.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -156.39 -48.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.93 133.97 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.955 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.2 p -82.85 168.5 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -122.02 122.42 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -97.37 113.34 24.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -101.81 117.76 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CD1' HG12 ' A' ' 91' ' ' VAL . 39.7 p90 -120.09 163.1 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.4 m -130.04 112.52 17.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.534 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.0 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.68 -139.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.64 158.67 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.34 -17.8 13.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 61.06 68.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.8 m-80 66.29 -62.11 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.0 t -72.16 117.09 55.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.78 41.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.596 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.06 144.63 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLY . 27.2 p -123.67 -34.51 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -144.82 160.34 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.596 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 28.1 m-85 -135.86 104.97 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.2 mt -89.04 156.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' THR . 2.7 mp -131.86 159.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -155.39 164.84 38.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -148.01 158.93 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -122.26 117.37 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.92 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . -61.89 -34.57 76.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.3 ttm -67.56 -48.82 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -79.59 -67.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -143.44 107.48 5.17 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.81 12.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.82 -17.49 30.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 tp -87.38 96.02 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 65.9 m95 -84.57 140.29 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 107.96 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.69 126.9 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -104.7 -76.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ILE . 9.7 t -168.44 164.34 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 2.5 pp20? -135.05 165.3 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -142.24 -175.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.08 168.24 18.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.04 24.54 12.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -38.38 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.34 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.456 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 8.7 pt20 -86.38 162.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -141.36 19.25 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 p -139.09 121.61 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.86 136.84 44.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.95 130.61 42.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 89' ' ' PHE . 7.5 mt -112.48 129.34 56.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.17 108.76 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB3' ' OH ' ' A' ' 87' ' ' TYR . 1.4 mt -107.72 147.49 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.484 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 0.4 OUTLIER -95.24 166.65 14.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.471 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.0 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.477 ' O ' ' HB ' ' A' ' 85' ' ' VAL . 10.9 m-85 -109.7 84.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.1 p 170.5 153.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.423 ' N ' HG22 ' A' ' 85' ' ' VAL . 49.6 t30 -143.85 153.89 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CD2' HG22 ' A' ' 85' ' ' VAL . 8.3 p90 172.91 173.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.68 -178.59 3.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' HD23 ' A' ' 25' ' ' LEU . 44.6 m-85 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -119.73 125.98 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' ' 37' ' ' TRP . 62.0 t -103.34 129.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 mtm -112.19 154.68 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.52 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.8 132.91 55.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.517 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -125.76 131.75 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.1 p30 -132.88 -167.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -37.74 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 23.8 mm -64.87 -77.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.77 -160.76 21.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -95.35 132.14 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.4 p -86.11 176.06 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.31 162.15 51.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -52.04 162.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.5 mm-40 -36.78 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.07 92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.04 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 170.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.52 98.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.74 118.93 20.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.476 ' CB ' ' HB2' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -132.11 103.32 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -63.39 -168.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.44 159.85 15.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.17 -172.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m -83.93 69.66 10.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.77 147.71 0.65 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 63.95 166.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 72.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 110' ' ' LEU . 23.2 t-20 58.55 107.55 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 t -104.22 -28.69 11.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.37 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -112.31 159.36 13.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.16 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.794 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -120.58 144.84 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 54.1 p -136.52 151.1 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.39 149.2 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 p -110.6 164.53 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.23 136.03 7.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.58 156.14 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.042 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m 66.7 139.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.8 170.77 15.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.51 6.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -127.58 90.14 49.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.25 139.2 91.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.9 p -134.38 109.8 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' CB ' ' CD1' ' A' ' 97' ' ' ILE . 74.8 m-85 -91.1 -177.45 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.623 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.6 m-20 167.59 50.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.623 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.7 m 49.98 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.99 163.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.1 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.437 1.756 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.61 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 38' ' ' THR . 51.9 p90 -136.87 -177.2 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.73 13.48 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mp -41.55 122.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.81 170.57 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mt -133.98 122.13 22.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -150.85 120.2 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 1.5 p-10 -142.53 -171.11 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -171.92 43.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -164.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -94.19 -62.97 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.79 67.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 p -176.49 116.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 8.2 p -118.11 137.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -92.51 137.15 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' CZ3' ' A' ' 37' ' ' TRP . 52.4 tp -108.8 112.81 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -98.71 120.52 39.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.426 ' CG ' HG12 ' A' ' 91' ' ' VAL . 48.9 p90 -121.72 163.2 19.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.495 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 55.1 m -123.36 108.72 31.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -59.97 -141.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.92 151.7 34.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -103.96 -16.17 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.539 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.5 m-80 60.42 67.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 67.7 m-80 66.87 -61.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.0 t -72.42 117.32 57.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.05 42.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.598 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.57 142.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' GLY . 77.2 p -123.45 -33.14 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 1.9 ttpt -146.11 157.37 43.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CE2' HG22 ' A' ' 47' ' ' ILE . 30.4 m-85 -134.33 108.05 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.8 mp -88.7 157.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.2 mp -133.53 136.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 52' ' ' ILE . 31.9 mt-10 -127.98 160.57 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.24 155.31 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.02 142.63 49.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' LYS . 38.3 t0 -90.14 124.49 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.52 -11.41 21.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.424 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 30.6 ttm -93.17 -8.34 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -131.87 -79.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.0 mtmt -119.88 95.41 49.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.49 29.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.76 -23.29 29.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.88 100.98 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 87.5 m95 -90.61 134.46 34.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 51' ' ' ILE . 19.6 t-80 -86.33 114.32 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -85.22 -77.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -163.39 159.51 22.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -126.21 161.93 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -137.57 -175.63 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.91 169.19 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.73 23.67 21.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.98 -35.06 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.469 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.6 pt20 -87.08 157.57 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 p -133.09 20.09 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 71.1 p -145.99 123.54 11.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.26 141.37 46.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.49 137.12 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 89' ' ' PHE . 7.4 mt -110.99 123.91 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -86.64 109.69 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD23 ' CZ ' ' A' ' 89' ' ' PHE . 9.8 mt -107.07 157.96 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -131.16 159.2 72.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 144.04 29.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.501 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 5.2 m-85 70.25 42.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' A' ' 87' ' ' TYR . 3.1 t -151.03 126.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -117.93 140.51 49.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -179.59 173.17 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -108.14 -178.39 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CZ ' HD23 ' A' ' 81' ' ' LEU . 23.3 m-85 -129.92 121.59 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.597 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 1.7 ttp180 -109.34 158.31 18.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.45 ' C ' ' SD ' ' A' ' 92' ' ' MET . 57.3 t -137.19 127.23 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.463 ' N ' ' SD ' ' A' ' 92' ' ' MET . 3.4 mpp? -119.73 158.97 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.482 ' HB3' ' CG1' ' A' ' 47' ' ' ILE . . . -127.53 134.1 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -130.0 133.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.8 p30 -132.58 -167.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -46.13 -44.22 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.483 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 4.2 mm -58.64 -85.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.96 -155.51 8.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' CA ' HG12 ' A' ' 94' ' ' VAL . 15.5 ttpp -97.69 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 84.0 p -84.69 163.46 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.22 162.4 0.86 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.437 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.06 140.16 24.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 79.4 p -53.79 157.47 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -41.88 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.01 117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.0 169.25 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.57 152.99 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -79.8 101.51 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.48 ' CE1' HD13 ' A' ' 81' ' ' LEU . 2.3 t80 -77.99 105.22 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.64 129.34 45.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.8 p -77.56 -172.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.444 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -75.33 142.31 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.65 -170.69 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 67.2 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.49 136.12 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.11 165.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -75.7 -65.64 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -135.04 94.32 16.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.89 33.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 t -153.26 54.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.9 p -42.2 160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.45 155.81 23.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -37.42 2.08 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.29 -74.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.82 148.89 41.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.946 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 68.76 153.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.12 170.75 4.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -165.98 18.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.45 107.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.93 142.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.37 -98.77 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.02 17.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.797 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -68.33 -52.89 19.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.02 140.46 25.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . 80.21 141.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 170.59 20.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -94.21 107.99 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 3.3 m-85 -74.07 -170.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 14' ' ' TYR . 14.7 m-20 162.43 146.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.423 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 26.9 m -40.77 160.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.1 Cg_endo -75.05 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -39.5 158.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.7 34.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.03 25.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -149.84 178.23 9.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.78 18.35 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -46.62 145.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.05 169.13 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 89' ' ' PHE . 4.1 mt -135.25 113.09 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 ' CG2' ' C ' ' A' ' 25' ' ' LEU . 30.0 p -150.04 129.16 12.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -145.01 163.21 34.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -136.95 55.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.47 111.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.32 80.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.94 -46.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.37 123.08 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 p -85.78 145.73 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 131.62 50.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 tp -103.93 114.21 28.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -99.44 123.43 43.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.7 p90 -125.53 163.33 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -124.15 110.78 28.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.59 -144.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.99 161.81 10.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.79 -18.08 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.31 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 65.7 m-80 67.32 -60.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.4 t -72.58 115.73 42.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 157.2 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.6 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -70.72 150.93 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 72' ' ' GLY . 59.8 p -128.96 -36.14 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -145.23 159.74 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 35.5 m-85 -134.26 109.18 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.599 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.7 mp -88.49 157.2 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -131.11 154.4 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 7.3 mt-10 -145.56 164.03 32.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -153.85 157.37 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -130.09 137.71 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' LYS . 34.4 t0 -87.94 96.15 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.07 -18.94 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.8 ttm -81.45 -6.55 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -136.48 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 9.6 mtmt -125.34 94.86 42.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.57 20.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.04 -16.57 60.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -83.38 95.29 8.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -88.88 139.63 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 54.4 m-70 -125.77 179.14 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.579 ' CE1' HG22 ' A' ' 51' ' ' ILE . 5.4 t-80 -94.8 114.69 26.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.85 -76.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.0 t -161.93 160.13 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -127.1 164.98 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -141.31 -175.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.58 167.6 21.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.29 18.11 43.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.2 -27.05 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.459 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.1 pt20 -97.63 167.95 10.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p -142.71 14.46 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 72.3 p -137.86 123.43 19.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.71 143.23 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -79.44 133.73 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 mt -114.83 117.44 30.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.96 107.68 13.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 80' ' ' ASN . 5.9 mt -99.09 153.03 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.11 160.73 63.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 146.35 32.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 23.9 m-85 62.35 71.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.595 HG21 ' CE1' ' A' ' 87' ' ' TYR . 2.8 p 176.48 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.79 132.26 52.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.595 ' CE1' HG21 ' A' ' 85' ' ' VAL . 3.7 p90 -163.66 170.25 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 m -104.51 -179.03 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CD2' HD21 ' A' ' 25' ' ' LEU . 31.5 m-85 -133.15 127.13 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HD3' ' CZ3' ' A' ' 64' ' ' TRP . 2.5 ttp180 -108.96 173.85 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.521 HG11 ' CG ' ' A' ' 37' ' ' TRP . 49.4 t -153.48 121.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.2 mtm -117.75 149.88 40.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.15 138.16 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.599 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.0 t -130.09 130.48 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 57.3 p30 -130.43 -174.61 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -40.05 -47.01 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.2 mm -58.95 -84.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.74 -157.93 9.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -94.58 132.6 39.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 52.0 p -84.11 177.74 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -65.31 160.32 59.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.97 142.22 27.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' GLU . 11.7 p -52.77 154.5 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 17.5 mt-10 -36.15 -80.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 158.84 114.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.56 167.68 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 152.88 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -79.44 99.84 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.58 108.13 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 111' ' ' THR . 1.8 tm? -113.4 118.28 34.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.449 ' N ' HD23 ' A' ' 110' ' ' LEU . 21.3 p -75.17 168.11 20.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.36 153.85 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 84' ' ' TYR . . . 171.1 128.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 t -71.44 73.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.82 115.29 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.06 39.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 176.33 69.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 51.78 58.98 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.424 ' ND2' ' HG ' ' A' ' 110' ' ' LEU . 6.3 m120 -104.1 157.37 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 34.6 p -70.85 137.59 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -105.85 95.1 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 51.57 -158.68 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 84.08 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 t -110.62 -57.94 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.9 p -128.05 110.16 12.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.36 135.83 16.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.061 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.47 145.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.84 134.14 1.65 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.99 168.45 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -141.14 133.83 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.66 -136.09 2.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 100.82 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -138.3 90.09 13.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.26 131.78 94.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.2 Cg_endo -75.04 -166.54 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p -132.03 111.46 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 20.6 m-85 -95.29 -166.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.637 ' O ' ' O ' ' A' ' 16' ' ' VAL . 3.8 m-20 155.6 52.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.637 ' O ' ' O ' ' A' ' 15' ' ' ASP . 28.8 m 49.72 160.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -74.97 121.66 6.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.65 159.69 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.07 39.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.0 170.64 19.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -151.3 -176.15 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.23 20.07 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.25 150.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -153.41 166.72 31.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -133.15 105.08 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 p -143.05 139.37 30.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.25 -170.15 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 177.36 38.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.0 -75.93 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.27 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.51 55.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.2 p -172.27 96.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -82.18 140.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.64 131.0 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -100.08 117.49 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.2 p -97.85 124.73 42.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' CG ' HG12 ' A' ' 91' ' ' VAL . 47.0 p90 -127.32 162.27 26.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 63.5 m -122.24 110.94 32.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 109.55 2.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.55 -140.9 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.36 161.66 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.5 m-20 -112.12 -15.64 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 60.07 69.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.574 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 44.9 m-80 66.43 -62.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.7 m -71.63 116.83 51.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.98 21.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.593 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -48.74 142.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 19.4 p -122.61 -33.74 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -146.52 158.09 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 33.4 m-85 -134.0 102.73 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.515 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.3 mt -89.05 156.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.458 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.0 mt -132.42 160.47 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 35.4 mt-10 -153.12 166.73 31.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -149.97 151.41 33.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -119.21 136.54 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.25 98.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.21 15.36 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 ttm -102.94 -24.28 13.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -134.31 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -114.74 91.86 27.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.02 25.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 97.32 -27.76 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.34 97.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.605 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.1 m95 -84.15 148.48 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.99 161.53 32.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -75.72 119.39 19.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.64 -76.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 t -167.83 169.83 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.66 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.73 -175.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 172.86 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' O ' HG21 ' A' ' 47' ' ' ILE . . . -85.38 16.04 41.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -126.01 -1.74 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.442 ' C ' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.54 164.07 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' C ' ' A' ' 74' ' ' GLN . 29.6 p -151.88 17.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.406 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 1.6 p -155.41 123.72 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.71 145.57 50.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -78.23 125.99 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.55 HD11 ' CD1' ' A' ' 89' ' ' PHE . 6.1 mt -101.85 122.46 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.1 109.51 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 89' ' ' PHE . 11.8 mt -105.07 151.03 24.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -124.21 160.0 54.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 141.24 26.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 113' ' ' ALA . 13.9 m-85 64.25 37.32 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 87' ' ' TYR . 2.8 t -141.81 109.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.242 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.445 ' OD1' HD23 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -101.24 145.59 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -179.75 174.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 -177.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD1' HD11 ' A' ' 79' ' ' LEU . 31.4 m-85 -136.7 121.95 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 8.9 ptt180 -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG12 ' CG ' ' A' ' 37' ' ' TRP . 53.3 t -103.92 143.47 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 5.8 mtm -126.83 154.28 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -124.0 125.01 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.515 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -118.76 134.23 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.9 p30 -132.29 -167.09 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -34.38 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.468 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -67.35 -76.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.32 -158.84 14.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -97.65 124.09 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 100.0 p -74.57 175.27 7.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -65.99 158.47 75.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HG3' ' NH1' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.99 142.09 27.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.5 p -46.53 151.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 33.2 mt-10 -34.78 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.58 103.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 163.79 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -84.9 96.68 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -87.25 108.92 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 119' ' ' ASN . 7.6 tp -108.05 107.09 17.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 p -61.72 171.98 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -113.56 146.22 40.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.575 ' HB3' ' CE1' ' A' ' 84' ' ' TYR . . . -133.39 50.02 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.64 53.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 172.81 127.36 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 164.72 32.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 165.08 137.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 74.99 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 10.0 m120 59.36 161.47 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.24 3.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.769 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.0 t -42.38 138.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.42 97.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -158.07 151.99 23.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 99.0 p 179.73 162.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 p -60.53 171.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.96 124.52 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.04 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.53 154.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.942 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 127.95 1.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.42 111.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.6 121.27 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -143.9 3.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 p -130.0 90.82 41.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -177.37 138.94 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -74.96 169.68 22.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.0 86.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.553 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 93.5 m-85 -73.14 -176.66 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.7 m-20 165.79 50.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.628 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.9 m 49.83 161.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 123.44 7.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.567 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.92 163.85 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 148.1 34.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.46 12.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE2' HG23 ' A' ' 38' ' ' THR . 31.1 p90 -151.65 175.32 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.91 16.67 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -50.67 129.85 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.2 152.46 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 35' ' ' LEU . 3.4 mm? -97.65 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.1 p -114.36 116.68 29.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 0.8 OUTLIER -139.91 -165.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.61 -53.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.22 139.21 31.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.63 81.69 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 -46.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.446 ' CB ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -129.96 106.5 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 10.0 p -89.2 140.88 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -106.6 125.23 50.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' CD1' HD13 ' A' ' 25' ' ' LEU . 11.1 tp -91.61 126.13 36.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 34' ' ' GLN . 3.7 m -107.95 123.42 48.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.503 ' CD1' HG11 ' A' ' 91' ' ' VAL . 44.6 p90 -127.53 163.59 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.489 HG23 ' CE2' ' A' ' 21' ' ' PHE . 53.4 m -128.13 108.73 19.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.98 108.82 2.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.61 -143.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -56.43 156.65 5.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.43 -16.43 14.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.644 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 61.69 67.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.553 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.7 m-80 67.13 -61.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -72.92 117.12 57.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.601 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -55.82 143.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 94' ' ' VAL . 33.5 p -124.07 -32.72 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -143.07 161.47 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 10.7 m-85 -137.19 105.75 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.531 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mp -88.89 151.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mt -130.23 156.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 69.1 mt-10 -152.93 159.79 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -148.33 158.45 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.567 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.07 150.57 52.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 58' ' ' MET . 59.1 t0 -98.38 106.66 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.52 -9.51 58.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 7.0 ttm -87.9 -6.92 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 79.3 m80 -139.96 -77.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mtmt -114.44 93.36 31.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 138.2 22.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 98.41 -29.1 12.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.76 113.95 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.2 m95 -102.96 143.88 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -125.83 150.75 47.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.34 104.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.555 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -78.02 -75.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.7 t -172.18 155.76 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.6 pp20? -121.46 168.42 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -145.9 -175.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 170.31 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -91.46 28.46 8.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -43.07 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.505 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.5 pt20 -76.96 158.31 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -137.37 17.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.3 p -138.83 115.88 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.55 139.7 52.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -78.43 136.56 37.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 89' ' ' PHE . 13.3 mt -117.7 142.64 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.08 111.87 23.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 109' ' ' TYR . 16.6 mt -110.25 158.86 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.84 168.16 17.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.623 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 134.32 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.623 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 10.0 m-85 64.36 65.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.552 ' HB ' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -153.38 94.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -86.32 122.89 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE2' ' HB ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -162.28 175.56 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.547 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 50.9 m -115.69 -177.96 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CD2' HD11 ' A' ' 79' ' ' LEU . 40.9 m-85 -150.53 131.8 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -122.78 -179.2 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 37' ' ' TRP . 85.7 t -146.42 135.96 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.2 mtm -120.01 153.33 36.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.532 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.61 140.27 51.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.531 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -136.69 129.21 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 33.9 p30 -132.05 -171.5 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.2 m -39.6 -41.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 16' ' ' VAL . 5.0 mm -63.3 -101.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -147.51 -153.7 6.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -102.06 127.68 48.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 23.5 p -80.63 172.09 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.91 162.48 16.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.49 27.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -51.14 161.51 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 3.4 mt-10 -38.46 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 160.48 100.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.478 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -54.12 164.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 148.77 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.94 103.6 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.572 ' CE1' HD13 ' A' ' 81' ' ' LEU . 1.6 t80 -76.98 133.6 39.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mt -132.72 119.2 20.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.0 p -70.75 -170.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -74.29 126.55 30.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.58 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -133.4 -166.73 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.7 59.38 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 175.02 147.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t0 61.45 116.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.79 101.71 50.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 122' ' ' SER . 18.5 Cg_endo -74.98 -179.84 5.37 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 99.2 m 63.47 -77.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.448 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -113.83 90.61 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -130.68 -155.75 8.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 39.63 82.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p -176.07 92.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.6 -57.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p -84.5 163.79 19.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.23 125.1 4.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -168.55 112.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -172.33 139.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.9 -69.28 0.2 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 104.2 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.457 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -64.08 -54.16 42.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.98 -64.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.75 138.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -167.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t -151.65 137.49 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CG ' HD13 ' A' ' 97' ' ' ILE . 22.4 m-85 -112.17 -172.61 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 165.9 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 15' ' ' ASP . 31.0 m 49.99 161.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.98 122.34 7.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -45.72 163.74 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.64 38.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.69 24.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.92 176.52 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER 67.27 10.17 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -39.71 131.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.39 156.13 31.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -110.92 111.54 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -135.28 111.94 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' CG ' HG23 ' A' ' 33' ' ' VAL . 1.9 p-10 -148.52 -160.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -146.29 8.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 0.1 OUTLIER 67.88 14.73 9.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -177.28 33.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 5.2 t 144.31 -107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.484 ' N ' ' OG ' ' A' ' 32' ' ' SER . 1.3 p -166.36 177.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 20.2 tt0 -143.66 133.93 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 91' ' ' VAL . 55.3 tp -104.6 123.0 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -107.27 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.559 ' CD1' HG13 ' A' ' 91' ' ' VAL . 45.3 p90 -121.64 163.06 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.4 m -129.3 112.76 18.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.04 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.68 -140.0 0.35 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 149.35 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.8 m-20 -103.0 -17.18 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.559 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 60.63 69.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 25.3 m-80 66.0 -62.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.6 t -71.92 116.91 53.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.81 38.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -62.51 142.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' GLY . 61.2 p -124.43 -33.45 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -144.22 156.38 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 47' ' ' ILE . 27.9 m-85 -134.82 103.67 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD11 ' CG2' ' A' ' 94' ' ' VAL . 3.6 mt -88.6 154.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.7 mp -131.71 154.81 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -148.52 170.99 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -154.19 160.25 41.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.81 137.38 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' LYS . 48.1 t0 -87.31 96.04 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.25 -17.14 58.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 36.0 ttm -77.57 -14.37 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 65.3 m80 -130.19 -70.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -125.59 97.14 36.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 134.73 18.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.13 -23.19 35.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.83 99.81 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 73.0 m95 -86.82 144.81 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -131.73 153.88 49.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.42 ' HD1' ' N ' ' A' ' 67' ' ' GLN . 1.8 t-80 -65.46 122.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' N ' ' HD1' ' A' ' 66' ' ' HIS . 3.5 tp60 -98.71 -76.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -168.82 162.61 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -129.22 163.82 24.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' CD ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.93 -176.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.72 170.43 14.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.12 33.57 4.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 -45.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.481 ' CD ' ' CG1' ' A' ' 70' ' ' VAL . 13.4 pt20 -77.72 143.52 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 p -119.74 14.86 12.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.407 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 46.6 p -135.78 130.17 33.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.68 137.99 32.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.23 128.75 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 4.9 mt -105.28 113.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -75.71 108.54 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.65 156.38 18.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.408 ' O ' ' OG1' ' A' ' 111' ' ' THR . 0.5 OUTLIER -128.77 160.75 61.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.6 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 143.67 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.6 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 18.7 m-85 62.87 76.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.582 HG22 ' CE1' ' A' ' 87' ' ' TYR . 2.4 p 176.48 116.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -106.1 136.55 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' HG22 ' A' ' 85' ' ' VAL . 5.3 p90 -167.71 175.45 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.417 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 2.8 p -111.34 -178.82 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -135.25 121.88 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -119.8 138.84 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 37' ' ' TRP . 99.6 t -111.45 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' ILE . 5.0 mtm -130.33 153.28 48.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.77 128.32 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG2' HD11 ' A' ' 51' ' ' ILE . 2.8 t -123.55 130.73 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 54.9 p30 -132.25 -167.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.03 -44.19 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' CG2' HG11 ' A' ' 16' ' ' VAL . 5.6 mm -59.06 -86.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.38 -155.89 8.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -98.62 127.36 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.2 p -78.14 179.01 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 162.18 58.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 146.23 32.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' GLU . 25.0 p -56.22 153.87 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -36.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.97 106.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.95 170.15 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -92.48 97.61 10.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.81 108.61 15.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.31 104.96 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 82' ' ' SER . 61.1 p -57.1 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.98 157.33 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.578 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -175.58 -157.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.48 42.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.57 136.02 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -91.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.61 -172.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.64 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -117.57 80.34 13.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 152.85 41.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 t -168.63 127.64 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.6 p -85.31 107.12 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -152.7 -159.79 9.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.78 30.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 m -139.89 110.86 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.7 t -39.44 145.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.073 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.83 128.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.26 167.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.26 143.64 5.55 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -128.67 149.24 50.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -49.33 164.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.22 102.58 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.54 10.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 9.3 t -175.38 124.06 0.35 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -75.01 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -169.21 137.26 1.58 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.0 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.61 85.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CB ' ' CD1' ' A' ' 97' ' ' ILE . 96.0 m-85 -72.36 -173.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.615 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.5 m-20 163.8 51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.6 m 50.29 161.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.98 120.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.486 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.14 163.27 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.45 33.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.15 18.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 38' ' ' THR . 28.1 p90 -151.93 174.58 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 106' ' ' SER . 2.5 mp -50.55 132.45 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 149.1 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 35' ' ' LEU . 3.9 mm? -100.8 110.0 22.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -125.35 115.66 20.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -146.01 167.85 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -136.03 19.41 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.34 -167.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -122.94 -40.08 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -37.87 -57.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -148.37 178.52 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' LEU . 12.2 p -125.26 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 11.2 tt0 -86.68 127.12 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' CD1' HD11 ' A' ' 25' ' ' LEU . 10.1 tp -99.39 114.49 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -96.17 126.46 41.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.529 ' CZ2' ' OE1' ' A' ' 74' ' ' GLN . 37.5 p90 -129.41 161.22 30.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 108.04 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.558 HG23 ' CZ ' ' A' ' 21' ' ' PHE . 22.2 m -126.42 109.1 23.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.443 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.93 108.27 2.67 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.18 -144.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.3 154.84 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.46 -16.08 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 60.58 67.01 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 71.8 m-80 67.87 -60.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.491 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.4 m -72.81 116.33 49.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.1 33.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.598 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -60.32 143.21 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLY . 47.9 p -125.06 -32.46 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -142.1 159.04 43.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 9.7 m-85 -135.4 106.76 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.557 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 mt -88.25 155.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -131.7 158.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 52' ' ' ILE . 21.6 mt-10 -154.37 159.18 41.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . 12.3 p90 -145.91 159.86 42.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -135.63 150.18 49.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -99.75 107.01 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -15.57 56.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ttp -85.96 -16.64 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -120.25 -74.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -128.12 98.14 27.51 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.19 17.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.74 -23.53 32.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.34 115.64 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.603 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 66.6 m95 -104.46 138.67 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.63 147.93 45.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -64.82 108.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -85.61 -76.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 159.44 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.5 pp20? -124.91 166.52 16.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.1 -179.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.57 171.95 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -92.29 15.34 62.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 -22.92 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' OE1' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -98.38 170.2 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -149.02 19.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 34' ' ' GLN . 68.3 p -148.51 125.72 11.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.64 145.72 43.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -74.99 142.48 43.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' VAL . 13.6 mt -119.58 134.8 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.401 ' C ' HD23 ' A' ' 81' ' ' LEU . 2.8 m120 -89.87 108.49 19.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.682 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 8.4 mt -106.76 143.67 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.31 157.56 43.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.95 140.1 25.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.591 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 17.5 m-85 65.3 72.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 87' ' ' TYR . 2.5 p 177.25 109.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -93.09 138.62 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -167.68 168.12 12.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -109.76 -178.7 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 41.7 m-85 -149.48 128.88 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.0 ptt180 -123.2 175.99 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' A' ' 37' ' ' TRP . 91.7 t -137.54 143.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 91' ' ' VAL . 4.0 mpp? -127.43 152.44 47.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.488 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -120.7 140.86 51.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.557 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.9 t -135.97 129.32 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.491 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.1 p30 -127.23 -168.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.11 -41.39 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.542 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 2.7 mm -59.74 -83.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.46 -154.89 8.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -99.98 134.69 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 85.6 p -84.48 176.63 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -65.46 160.1 62.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 p -45.78 150.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 26.6 mt-10 -38.96 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 163.39 118.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 7.9 p -67.15 162.01 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.36 153.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -74.46 96.03 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.682 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 3.5 t80 -92.06 111.68 23.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp -113.13 133.97 54.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.3 p -77.39 179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -71.13 154.81 41.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.56 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -170.59 68.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.44 44.7 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -174.22 132.52 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 117' ' ' ASP . 18.2 Cg_endo -74.99 -169.24 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 116' ' ' PRO . 2.0 t70 76.26 148.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -106.08 78.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.92 132.51 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.27 42.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 m -109.07 138.1 45.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.89 153.4 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.81 154.19 25.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.3 p -132.22 133.7 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 t -86.14 -61.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.33 161.84 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.22 126.27 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.9 163.04 34.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -115.48 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.46 98.9 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.25 -129.29 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.49 9.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -175.61 124.14 0.34 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.17 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.18 138.64 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -75.01 -165.86 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.433 1.754 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p -135.4 112.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 29.0 m-85 -97.17 -165.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.4 m-20 157.44 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 33.6 m 49.66 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.07 120.82 6.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.462 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -44.59 163.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.38 30.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.66 17.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.81 175.79 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.01 14.88 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 106' ' ' SER . 0.9 OUTLIER -50.58 130.12 23.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 151.62 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 35' ' ' LEU . 3.1 mm? -100.5 111.83 24.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -129.86 114.39 15.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 1.4 p-10 -144.4 148.79 35.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -153.41 46.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -119.09 -76.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m-20 152.47 -49.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -39.53 -63.92 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.32 -169.84 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 9.2 p -104.03 158.37 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.552 ' NE2' ' CG2' ' A' ' 76' ' ' THR . 1.5 tm0? -120.06 128.47 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 25' ' ' LEU . 4.7 tp -90.98 118.06 30.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.457 ' HG ' ' NE2' ' A' ' 34' ' ' GLN . 1.3 m -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CD2' HG13 ' A' ' 91' ' ' VAL . 28.5 p90 -134.28 160.99 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.7 m -127.36 112.04 21.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.29 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.09 -139.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.83 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -17.43 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 60.69 68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.565 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 41.7 m-80 66.03 -61.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.2 m -71.71 116.46 48.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.22 28.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.6 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.87 142.96 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLY . 40.5 p -122.85 -33.63 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -144.7 160.14 41.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 17.0 m-85 -134.46 107.26 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.8 mp -88.68 153.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 HD13 ' CH2' ' A' ' 37' ' ' TRP . 3.7 mt -133.1 155.03 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 11.8 mt-10 -150.63 171.11 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -158.49 160.21 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -134.84 147.59 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -91.5 93.84 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.96 -3.7 40.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 25.7 ttm -95.95 -4.56 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 41.5 m80 -140.6 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.77 91.68 28.86 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 122.82 7.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.75 -21.76 13.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 65' ' ' HIS . 12.4 tp -80.62 101.48 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 74.4 m95 -92.64 139.85 30.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.506 ' CE1' HD23 ' A' ' 63' ' ' LEU . 68.2 m-70 -128.63 140.12 51.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.07 123.2 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -97.94 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -171.52 152.8 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 pp20? -121.81 161.58 22.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.16 -175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 169.66 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.57 22.71 26.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.23 -34.29 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.476 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.9 pt20 -89.72 160.12 16.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -139.45 22.68 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.552 ' CG2' ' NE2' ' A' ' 34' ' ' GLN . 8.1 p -145.13 118.0 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.27 137.83 52.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 137.1 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.7 mt -115.4 125.03 52.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.402 ' C ' HD21 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -87.82 107.83 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -103.52 161.23 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 163.33 48.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.589 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 145.18 31.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.636 ' CD1' ' CB ' ' A' ' 113' ' ' ALA . 20.7 m-85 62.32 73.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 87' ' ' TYR . 2.6 p 175.79 112.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.423 ' CB ' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -105.5 133.05 50.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CE1' HG21 ' A' ' 85' ' ' VAL . 4.7 p90 -165.17 164.04 20.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 m -103.95 -177.78 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -137.2 128.38 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.571 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -121.22 144.44 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.519 HG13 ' CD2' ' A' ' 37' ' ' TRP . 98.2 t -117.27 144.52 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' ILE . 3.9 mpp? -130.24 154.66 47.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.496 ' HB2' ' CD1' ' A' ' 47' ' ' ILE . . . -123.04 140.55 52.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.7 t -134.76 133.95 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.6 p30 -131.79 -169.82 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -50.32 -37.74 38.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.424 ' HB ' ' OD1' ' A' ' 95' ' ' ASN . 6.9 mm -63.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.94 -159.26 11.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -97.09 143.29 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.364 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 88.3 p -96.27 164.97 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.86 163.34 1.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.95 135.42 19.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 79.0 p -43.78 159.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 31.9 mt-10 -37.9 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 159.08 90.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 1.2 p -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 156.47 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.41 95.99 5.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.649 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 2.1 t80 -79.82 130.8 35.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.4 tp -132.48 134.96 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.4 p -87.06 173.1 9.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -76.82 128.79 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.636 ' CB ' ' CD1' ' A' ' 84' ' ' TYR . . . -145.49 68.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.59 37.9 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -170.18 132.09 0.99 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.56 172.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.15 85.26 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 59.48 101.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.8 p -78.81 88.27 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m -90.55 118.01 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.4 158.23 1.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 121.84 6.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -127.3 121.6 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.048 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.3 p -49.72 112.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -170.79 164.82 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 p -175.26 173.94 2.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.38 121.98 0.62 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.21 130.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.051 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.23 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.78 155.1 31.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.71 13.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -57.71 -53.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.98 148.21 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 10' ' ' PRO . . . 82.39 136.34 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.05 -170.25 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG2' ' C ' ' A' ' 12' ' ' PRO . 2.0 t -151.93 136.33 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 21.1 m-85 -117.64 -172.58 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.625 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.8 m-20 164.23 52.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.625 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.2 m 49.79 162.57 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.07 121.27 6.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.94 164.56 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.08 21.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.95 179.32 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.65 14.78 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -48.25 133.11 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 149.17 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 35' ' ' LEU . 3.5 mm? -101.27 123.29 45.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -142.34 116.58 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 3.1 p-10 -143.92 155.45 44.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -117.88 -3.12 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 147.56 38.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.13 81.93 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.61 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -134.59 115.35 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p -82.08 143.17 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.73 131.51 43.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' CD1' HD13 ' A' ' 25' ' ' LEU . 9.2 tp -100.58 113.96 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 m -97.29 117.35 31.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CE3' HG23 ' A' ' 91' ' ' VAL . 46.0 p90 -120.87 162.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 107.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.0 m -126.87 112.08 22.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 106.44 2.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.71 -145.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.082 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 153.73 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.1 m-20 -105.24 -17.4 14.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.5 m-80 60.47 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 13.4 m-80 66.66 -61.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.3 t -72.48 117.19 56.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.22 43.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -69.14 145.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLY . 69.0 p -125.49 -34.28 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.6 OUTLIER -142.23 158.81 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 12.0 m-85 -134.02 107.36 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.561 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 mt -88.95 154.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.58 154.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -148.12 169.83 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 88' ' ' SER . 9.1 p90 -158.2 159.04 35.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -136.98 150.91 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.3 t0 -99.34 103.96 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.0 61.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.0 ttm -75.46 -13.5 60.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.407 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 21.9 m80 -119.97 -67.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mmmt -139.28 97.07 8.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.69 2.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.54 -23.2 4.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' A' ' 65' ' ' HIS . 12.2 tp -80.65 108.32 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 64.4 m95 -99.09 140.9 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.46 ' CE1' HD22 ' A' ' 63' ' ' LEU . 81.9 m-70 -125.71 152.55 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.6 116.15 6.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.08 -76.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -168.86 159.34 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -127.88 163.29 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -139.39 -175.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.82 168.85 17.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.3 23.31 19.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -38.19 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 7.1 pt20 -85.68 158.55 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 p -136.16 19.09 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 69.0 p -142.98 128.73 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.45 149.76 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -79.35 141.0 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mt -117.52 125.31 50.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -79.27 108.68 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.7 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 13.0 mt -108.35 147.02 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.44 160.97 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.607 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.94 137.18 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.607 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.2 m-85 64.91 79.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.564 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.4 p 173.43 103.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.419 ' CA ' HD23 ' A' ' 110' ' ' LEU . 15.7 t30 -86.79 147.9 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.564 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -177.61 171.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -112.3 -178.86 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 81' ' ' LEU . 42.2 m-85 -148.03 125.25 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.4 ptt180 -118.96 -177.84 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.55 HG23 ' CE3' ' A' ' 37' ' ' TRP . 89.0 t -144.58 145.28 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.436 ' N ' HG12 ' A' ' 91' ' ' VAL . 3.8 mpp? -129.51 154.27 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . . . -121.58 141.5 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.561 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -137.73 130.87 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 48.4 p30 -132.92 -171.33 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.4 m -42.01 -50.0 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.3 mm -52.27 -91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.73 -155.96 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -100.16 133.67 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.3 p -84.62 175.22 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.53 162.25 58.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 136.13 19.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -50.34 158.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 2.0 mt-10 -42.29 -77.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 159.39 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.72 163.46 9.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.46 150.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.54 96.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.7 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 3.8 t80 -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.571 ' CD1' ' HA ' ' A' ' 119' ' ' ASN . 0.9 OUTLIER -122.17 125.98 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.7 p -71.15 -176.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -78.97 160.07 27.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.511 ' CB ' ' CD1' ' A' ' 84' ' ' TYR . . . -178.12 125.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.8 82.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.34 150.0 0.98 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 117' ' ' ASP . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.763 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' PRO . 6.3 m-20 47.25 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -67.66 -82.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.571 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 0.6 OUTLIER 34.0 75.13 0.47 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.4 9.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.7 m 63.0 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.92 161.46 35.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.35 161.31 13.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.15 4.81 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.71 117.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.01 114.57 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t 64.26 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 110.047 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.5 m 70.71 157.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.58 -179.84 43.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.79 136.09 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -46.72 153.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.33 176.32 19.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.73 81.53 13.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -75.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 139.99 97.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 167.08 27.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.48 84.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 60.0 m-85 -72.83 -171.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 16' ' ' VAL . 10.3 m-20 164.59 51.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.85 162.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.97 125.18 9.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.603 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -48.05 162.85 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.53 35.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.0 10.48 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -151.75 177.64 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.97 28.66 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -62.53 131.45 49.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.8 147.81 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' A' ' 35' ' ' LEU . 3.1 mm? -97.97 127.63 44.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.9 p -150.4 118.98 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -144.37 153.5 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -115.96 17.32 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.2 141.86 44.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.59 81.6 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 100.02 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.62 169.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.54 136.34 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' CD1' HD12 ' A' ' 25' ' ' LEU . 4.2 tp -104.92 112.99 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -96.12 125.51 40.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.538 ' CD2' HG11 ' A' ' 91' ' ' VAL . 38.5 p90 -133.44 162.44 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -130.15 113.62 17.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 120.67 6.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -138.81 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.78 156.14 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -106.38 -15.61 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.603 HD22 ' ND2' ' A' ' 18' ' ' ASN . 1.3 m-80 60.7 67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 69.1 m-80 67.7 -60.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.3 m -73.28 117.39 59.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.9 23.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.581 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -52.8 142.71 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 20.6 p -123.22 -33.26 3.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -145.4 161.87 38.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 29.6 m-85 -137.68 103.51 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 3.0 mt -89.19 157.37 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.1 mt -129.45 160.36 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 20.9 mt-10 -152.51 157.59 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -146.13 162.36 38.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -137.4 146.76 44.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -94.87 95.95 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.79 -22.94 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.414 ' HE3' ' N ' ' A' ' 86' ' ' ASN . 4.1 ttp -80.45 -10.63 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -129.83 -71.37 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -121.71 91.78 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.81 8.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.67 -24.24 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -78.72 110.2 13.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 86.1 m95 -101.38 133.29 46.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -122.58 147.42 46.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.638 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.3 132.1 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.68 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -173.16 156.11 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.9 pt-20 -128.07 162.0 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.36 -175.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 169.3 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.38 23.39 19.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.11 -38.06 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.481 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 7.1 pt20 -85.81 166.26 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -143.44 18.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 34.7 p -138.3 120.24 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.25 147.32 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.08 134.34 36.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt -109.64 127.92 54.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.53 109.53 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' CD1' ' CE1' ' A' ' 109' ' ' TYR . 10.3 mt -105.86 147.53 28.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.63 159.91 48.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.595 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 139.43 24.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.796 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.7 m-85 64.3 72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.606 HG21 ' CD2' ' A' ' 87' ' ' TYR . 2.3 p 177.47 118.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.453 HD22 ' NE2' ' A' ' 108' ' ' GLN . 53.8 t30 -103.81 146.45 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.606 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -176.18 165.75 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -108.59 -179.09 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 109' ' ' TYR . 21.1 m-85 -134.88 122.42 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.567 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -118.7 129.42 55.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.538 HG11 ' CD2' ' A' ' 37' ' ' TRP . 66.1 t -100.81 141.62 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 3.7 mtm -124.93 154.52 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.51 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.0 135.33 55.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.64 131.81 66.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 54.8 p30 -132.63 -167.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.36 49.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.525 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.4 mm -60.65 -80.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.79 -159.32 14.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -94.05 134.43 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.4 p -87.67 177.72 6.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.22 162.37 61.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.03 142.59 27.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 17.2 p -50.34 161.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -35.68 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.24 89.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 1.2 p -47.16 161.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 146.54 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.453 ' NE2' HD22 ' A' ' 86' ' ' ASN . 10.8 mt-30 -70.78 96.07 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.595 ' CE1' ' CD1' ' A' ' 81' ' ' LEU . 2.0 t80 -79.84 115.26 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -124.73 114.82 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.9 p -65.3 -173.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.96 161.61 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.545 ' HB1' ' CE1' ' A' ' 84' ' ' TYR . . . -172.45 77.58 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.59 68.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -173.91 143.87 0.98 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.64 95.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -93.99 65.08 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 65.84 125.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.94 24.81 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 121' ' ' THR . 15.1 t -162.49 60.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.63 92.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.92 -151.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.9 t 53.22 88.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p 45.27 84.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -171.77 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p 57.88 160.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 175.23 17.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m -66.27 167.74 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -140.46 -70.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.86 -133.83 34.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.15 17.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 9' ' ' THR . 6.3 t -142.78 58.26 6.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.47 134.98 5.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -168.11 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.3 t -147.2 135.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CB ' HD11 ' A' ' 97' ' ' ILE . 25.5 m-85 -116.87 -174.36 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 164.32 50.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.8 m 49.49 162.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 118.46 5.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -42.35 164.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.5 33.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.61 24.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -151.15 177.87 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.07 30.44 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD11 ' CB ' ' A' ' 37' ' ' TRP . 2.2 mp -60.28 131.94 52.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -158.85 148.47 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 35' ' ' LEU . 3.0 mm? -103.05 135.48 44.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -150.8 113.64 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -147.0 169.26 19.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -121.34 -40.7 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.35 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.5 81.24 8.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 106.79 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -84.26 159.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -115.85 134.64 54.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' CD1' HD12 ' A' ' 25' ' ' LEU . 8.0 tp -107.75 112.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -97.68 116.55 30.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CD1' HG13 ' A' ' 91' ' ' VAL . 48.2 p90 -116.8 162.96 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m -126.32 107.28 24.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.349 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -75.08 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.41 -144.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.0 158.66 6.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.0 OUTLIER -109.23 -16.09 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.7 m-80 59.96 68.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.0 m-80 66.53 -62.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' ASN . 41.0 t -72.01 116.11 45.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.602 HG22 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -70.55 145.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.0 p -125.33 -32.9 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 50' ' ' PHE . 1.5 ttpt -144.39 157.31 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' A' ' 47' ' ' ILE . 21.6 m-85 -134.67 107.33 7.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' A' ' 66' ' ' HIS . 2.7 mp -87.77 151.39 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.409 HG21 ' O ' ' A' ' 90' ' ' ARG . 2.1 mp -125.16 153.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 52' ' ' ILE . 90.2 mt-10 -148.55 162.38 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -148.62 159.57 43.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.14 133.16 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.98 92.66 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.61 -26.55 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 ttm -73.73 -26.97 60.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -108.15 -69.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -136.42 101.69 9.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.31 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.13 -22.86 37.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' CD1' ' HE3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -80.3 106.99 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 62.3 m95 -94.7 136.46 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -126.28 150.67 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.572 ' CE1' HG22 ' A' ' 51' ' ' ILE . 3.5 t-80 -64.34 125.84 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.64 -75.21 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -164.65 163.48 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -130.97 164.43 25.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 ' CG1' ' CD ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.64 -175.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.38 170.06 15.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.92 32.67 4.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.83 -43.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.49 ' CD ' ' CG1' ' A' ' 70' ' ' VAL . 13.1 pt20 -79.15 143.0 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -119.2 16.17 13.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.0 p -139.41 129.92 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.64 150.46 44.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -82.26 134.77 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.41 136.02 53.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.33 109.83 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 HD23 ' CE1' ' A' ' 87' ' ' TYR . 27.9 mt -107.06 159.72 16.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.51 161.22 64.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.04 141.64 26.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 16.0 m-85 63.81 74.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.592 HG21 ' CD2' ' A' ' 87' ' ' TYR . 2.2 p -179.47 123.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.442 ' CG ' ' ND2' ' A' ' 119' ' ' ASN . 11.5 t-20 -106.38 147.08 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.592 ' CD2' HG21 ' A' ' 85' ' ' VAL . 0.4 OUTLIER 179.03 -179.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -178.37 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' HD22 ' A' ' 81' ' ' LEU . 26.2 m-85 -130.87 121.34 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 2.5 ttp180 -109.22 158.82 17.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 37' ' ' TRP . 76.4 t -137.33 135.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.3 mtm -125.3 153.0 43.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.08 137.8 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.555 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -133.14 128.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 56.4 p30 -132.82 -169.34 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -46.6 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' CG2' HG12 ' A' ' 16' ' ' VAL . 4.6 mm -56.64 -87.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.09 -154.56 7.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -102.69 119.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 47.9 p -69.38 178.03 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -69.77 161.93 71.3 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 144.54 30.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 p -55.25 157.81 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 24.5 mt-10 -39.32 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 162.12 115.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -56.28 165.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 155.01 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 86' ' ' ASN . 7.2 mt-30 -78.31 96.73 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 110' ' ' LEU . 1.3 t80 -105.42 122.25 45.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.566 ' O ' ' CE1' ' A' ' 109' ' ' TYR . 29.1 tp -98.26 157.64 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 61.6 p -124.19 135.17 53.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.4 OUTLIER 38.04 -145.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.559 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . 86.49 151.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.66 74.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.47 113.08 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 117' ' ' ASP . 18.3 Cg_endo -74.98 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 116' ' ' PRO . 9.0 t0 79.92 15.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER 43.08 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.479 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 6.1 t-20 60.93 121.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -164.8 171.66 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.94 106.95 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -144.01 -160.19 8.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.2 t -164.49 130.8 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 t -148.98 137.27 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -177.25 138.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.33 166.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.67 -95.48 1.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t 66.6 -75.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 62.36 111.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.1 140.09 15.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 150.33 37.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -61.09 -54.05 57.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.1 Cg_endo -75.06 156.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 0.0 110.96 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.29 143.52 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -74.99 -169.65 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.7 p -130.6 117.75 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 33.2 m-85 -102.69 -169.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.2 m-20 159.18 52.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.0 m 49.62 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -75.0 122.72 7.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.76 163.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.21 33.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 175.51 11.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' HG22 ' A' ' 38' ' ' THR . 32.5 p90 -151.51 176.68 11.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 25.22 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CD1' ' CB ' ' A' ' 37' ' ' TRP . 0.7 OUTLIER -58.9 134.15 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.46 154.87 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.581 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . 1.9 mm? -106.85 132.83 52.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -152.44 115.92 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.21 -173.91 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -131.86 -44.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.9 120.0 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.41 90.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.47 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 87.82 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 109' ' ' TYR . 12.0 p -67.57 150.76 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -106.02 128.11 53.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' CD1' HD13 ' A' ' 25' ' ' LEU . 41.7 tp -106.23 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -97.23 119.09 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -122.21 163.95 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.532 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 55.2 m -125.86 110.76 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.02 117.09 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.82 -139.84 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -58.37 155.4 11.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.43 -16.29 14.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 59.45 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 35.0 m-80 66.65 -61.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 m -71.21 114.35 26.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.33 26.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.01 142.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -122.86 -33.56 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -145.62 160.4 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 22.9 m-85 -136.16 103.71 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CG1' ' HB3' ' A' ' 69' ' ' GLU . 3.0 mt -88.72 152.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.8 mp -130.54 161.0 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 23.8 mt-10 -155.83 153.06 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -137.81 159.42 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.31 143.32 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -88.77 99.21 12.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.93 -19.96 50.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 58' ' ' MET . 36.4 ttm -78.38 -5.55 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -135.64 -69.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -128.41 93.17 39.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.53 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.2 -3.78 6.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -98.45 100.85 12.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 33.6 m95 -93.19 140.58 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -128.76 142.85 50.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.89 110.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -86.63 -78.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -170.42 154.5 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 pt-20 -127.3 159.76 33.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.404 HG12 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.75 -175.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -179.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -100.87 18.85 54.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -30.3 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -87.47 171.53 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 p -146.16 16.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 3.7 p -140.49 127.15 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -136.35 163.61 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 79' ' ' LEU . 6.7 mt-30 -104.65 148.76 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -124.5 119.62 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.62 106.57 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -128.28 163.67 24.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.9 168.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.04 151.3 39.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 113' ' ' ALA . 40.1 m-85 59.31 56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' O ' ' CZ ' ' A' ' 87' ' ' TYR . 99.2 t -157.5 111.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' C ' ' CG ' ' A' ' 87' ' ' TYR . 64.9 t30 -88.27 161.45 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' CG ' ' C ' ' A' ' 86' ' ' ASN . 0.1 OUTLIER 169.5 168.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.447 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.4 p -107.6 -178.9 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -143.75 122.87 12.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.9 ptt180 -118.2 132.19 56.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG11 ' CD2' ' A' ' 37' ' ' TRP . 93.0 t -103.28 146.97 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.4 mtm -131.72 151.69 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.524 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.89 135.95 54.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.48 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.28 131.18 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.4 p30 -132.65 -167.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.79 -41.98 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -60.49 -85.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.24 -153.39 6.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -105.5 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 81.3 p -64.19 -177.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.02 161.01 77.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 139.24 24.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLU . 83.6 p -45.05 152.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 63.0 mt-10 -35.02 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.61 96.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' LEU . 1.6 t -44.9 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -56.81 173.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.457 ' NE2' HD22 ' A' ' 86' ' ' ASN . 6.8 mt-30 -91.17 96.21 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 59.3 t80 -92.34 125.95 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.431 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -121.77 115.12 22.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.47 ' CG2' HD13 ' A' ' 81' ' ' LEU . 32.4 p -50.89 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -132.36 145.31 51.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 84' ' ' TYR . . . -145.61 69.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.16 55.33 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 173.18 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.23 118.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 66.21 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 44.64 81.72 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.03 122.73 7.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.3 t -141.95 154.1 44.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -103.01 95.88 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.11 -155.34 26.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -178.45 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.78 164.64 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.52 80.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -163.76 132.96 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 0.788 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.32 161.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.79 111.92 0.32 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.47 115.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.99 156.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 -144.63 4.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 80.27 2.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -139.15 91.47 11.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.424 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . 176.71 138.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -75.0 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -136.88 86.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 98.3 m-85 -73.39 -179.76 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.613 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.6 m-20 168.47 49.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' ' O ' ' A' ' 15' ' ' ASP . 29.5 m 50.03 162.24 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.455 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.1 m-80 -49.35 164.15 0.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.63 34.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.7 17.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -151.96 174.76 13.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.73 23.93 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 106' ' ' SER . 1.5 mp -59.82 133.8 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -161.72 152.18 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 35' ' ' LEU . 2.5 mm? -106.53 134.12 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 p -148.96 111.92 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.62 177.12 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.06 18.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.28 103.72 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -56.6 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.79 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -131.93 97.5 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.59 HG23 ' CE2' ' A' ' 109' ' ' TYR . 9.9 p -84.05 134.34 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.57 130.51 35.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 25' ' ' LEU . 28.3 tp -109.27 111.2 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -100.01 117.09 33.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CD1' HG12 ' A' ' 91' ' ' VAL . 38.3 p90 -122.63 163.33 20.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.0 m -129.28 111.62 18.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.39 -141.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -59.05 157.84 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.63 -17.05 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.539 ' N ' HD21 ' A' ' 43' ' ' ASN . 1.6 m-80 60.6 66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.576 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.0 m-80 68.04 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.496 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 32.2 m -72.11 113.88 24.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.22 32.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.583 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.66 142.12 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLY . 30.2 p -126.3 -32.11 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -138.69 158.86 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 5.2 m-85 -137.68 104.72 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.546 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 mp -88.85 155.66 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mt -132.53 158.18 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 27.2 mt-10 -155.85 140.3 16.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' SER . 5.9 p90 -129.64 158.89 38.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.83 155.9 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -100.91 89.32 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.18 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 85' ' ' VAL . 1.3 tpp -79.97 -25.68 40.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -117.37 -70.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -115.58 91.14 28.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 120.98 -18.68 8.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -81.76 106.36 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 37.6 m95 -98.33 144.58 27.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -130.48 135.33 47.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.642 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.409 ' CE1' HG23 ' A' ' 51' ' ' ILE . 5.5 t-80 -52.7 104.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -79.63 -72.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -171.84 164.49 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -126.71 173.03 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 ' CG1' ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -147.93 -176.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.68 25.73 10.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.33 -38.35 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.49 ' NE2' ' CG1' ' A' ' 70' ' ' VAL . 6.7 pt20 -83.11 164.72 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 p -142.06 15.24 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 p -139.59 127.5 22.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.37 149.51 44.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.23 131.41 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.527 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 7.5 mt -107.62 139.78 41.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.517 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 7.8 p-10 -106.31 112.73 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -128.58 162.46 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.3 158.47 32.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.442 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.99 161.16 39.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 57.87 46.15 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.637 ' O ' ' CE2' ' A' ' 87' ' ' TYR . 55.9 t -159.21 132.38 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.509 ' C ' ' CD2' ' A' ' 87' ' ' TYR . 6.9 t-20 -101.71 152.15 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CE2' ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -176.49 165.99 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.5 p -114.05 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 88' ' ' SER . 25.3 m-85 -148.75 130.76 15.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.62 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -127.12 147.66 50.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.579 HG12 ' CD1' ' A' ' 37' ' ' TRP . 46.7 t -117.03 132.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.6 mtm -115.39 152.75 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.52 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.5 139.88 51.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -138.97 130.02 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 40.0 p30 -133.0 -172.14 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -37.89 -49.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CD1' ' CB ' ' A' ' 14' ' ' TYR . 3.2 mm -54.86 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.8 -156.48 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.44 ' CA ' HG12 ' A' ' 94' ' ' VAL . 15.7 ttpp -99.66 134.24 42.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.2 p -85.19 -176.04 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.47 160.91 78.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.41 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 143.16 28.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLU . 26.9 p -52.09 154.74 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 39.8 mt-10 -35.42 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 161.07 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 47.1 p -42.66 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 153.57 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -72.4 96.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.59 ' CE2' HG23 ' A' ' 33' ' ' VAL . 58.3 t80 -95.09 117.29 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' HB2' ' ND2' ' A' ' 119' ' ' ASN . 7.8 tp -115.9 111.83 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.5 p -54.19 157.43 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.41 158.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . . . -171.43 56.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.07 50.49 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -171.24 146.55 2.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.5 168.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.94 70.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 110' ' ' LEU . 10.0 t-20 70.9 111.28 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.78 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 t -135.26 137.87 42.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -59.88 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.52 157.13 21.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 75.42 3.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 50.33 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t 59.62 156.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -65.46 157.56 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.09 169.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.97 -108.08 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 61.76 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -90.95 -38.87 12.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.37 87.59 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 133.71 17.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -74.95 -52.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.95 -71.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' PRO . . . -40.45 143.04 0.69 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 18.4 Cg_endo -75.04 177.65 8.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -135.4 84.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' ASN . 86.1 m-85 -69.19 -171.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.3 m-20 158.63 50.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 22.0 m 49.11 162.9 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.1 119.22 5.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.555 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.3 m-80 -40.61 159.45 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 149.67 36.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.7 34.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -145.25 -178.4 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER 61.88 14.68 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -40.22 124.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.11 167.37 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mt -131.83 114.53 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.1 p -145.23 129.88 18.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -144.92 -168.41 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -177.12 39.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.5 154.42 43.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.61 42.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -129.22 -52.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.74 173.59 16.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 11.8 p -109.25 148.99 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 27.6 tt0 -101.7 122.36 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 22.6 tp -96.25 111.19 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -97.62 116.08 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CE3' ' O ' ' A' ' 35' ' ' LEU . 48.9 p90 -115.67 163.13 16.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -120.17 109.93 36.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.03 -150.01 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.97 164.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 -17.5 12.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.555 HD22 ' ND2' ' A' ' 18' ' ' ASN . 1.7 m-80 61.04 67.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 71.5 m-80 67.93 -61.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.3 m -72.77 115.62 41.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.54 30.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.604 HG13 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -59.62 146.93 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 72' ' ' GLY . 68.3 p -126.12 -30.88 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -149.02 159.0 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 39' ' ' PRO . 37.6 m-85 -135.25 104.27 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.6 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 2.5 mp -89.04 156.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 53' ' ' GLU . 2.3 mp -130.8 139.12 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ARG . 13.6 mt-10 -132.18 149.09 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' SER . 14.8 p90 -135.31 155.67 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -130.41 144.17 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.254 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' MET . 13.4 t0 -93.96 118.77 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.18 -9.06 43.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.464 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 15.8 ttm -91.85 -11.55 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 39.4 m80 -129.07 -78.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mtmt -118.62 94.36 47.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.96 23.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.21 -9.0 77.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 HD23 ' CE1' ' A' ' 65' ' ' HIS . 14.9 tp -93.88 103.0 15.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 41.9 m95 -95.57 139.15 32.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.465 ' CE1' HD23 ' A' ' 63' ' ' LEU . 77.6 m-70 -121.71 178.09 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.6 ' CE1' ' CG2' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -85.86 125.61 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -102.43 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.1 t -163.83 155.27 16.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -132.97 151.9 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.46 -175.64 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.61 178.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.11 6.97 81.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.95 -8.29 13.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -85.66 158.85 19.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 74' ' ' GLN . 18.9 p -146.21 14.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.46 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 74.1 p -153.24 132.39 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.1 144.26 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 4.6 mt-30 -73.63 135.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 89' ' ' PHE . 7.8 mt -113.78 123.99 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.15 108.53 13.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.549 HD11 ' CE1' ' A' ' 109' ' ' TYR . 14.0 mt -107.33 148.44 29.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -111.78 178.97 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -74.95 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -77.46 89.06 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' A' ' 87' ' ' TYR . 1.1 p -176.39 139.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' CB ' HD21 ' A' ' 110' ' ' LEU . 34.2 t30 -123.85 147.42 47.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.653 ' CD2' HG21 ' A' ' 85' ' ' VAL . 1.3 p90 178.39 -174.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -125.92 -177.32 3.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 81' ' ' LEU . 24.3 m-85 -130.37 122.1 27.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.616 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 1.8 ttp180 -113.66 158.83 20.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.14 135.39 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.427 ' HE2' ' N ' ' A' ' 53' ' ' GLU . 2.2 mtm -125.2 154.83 40.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.506 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . . . -122.92 133.56 54.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.545 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -124.72 129.86 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.7 p30 -132.04 -167.97 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -40.06 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.471 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.9 mm -65.65 -85.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.71 -154.37 7.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.83 119.02 38.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 46.1 p -68.29 168.13 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.48 162.97 1.46 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -74.95 145.17 31.33 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 57.5 p -55.5 152.54 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 22.3 mt-10 -37.6 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 160.74 110.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.11 168.88 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.57 160.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.24 96.27 8.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.549 ' CE1' HD11 ' A' ' 81' ' ' LEU . 2.0 t80 -78.66 123.06 26.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.508 HD21 ' CB ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -129.31 127.32 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 82' ' ' SER . 17.5 p -81.78 177.54 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.42 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 1.4 mptt -110.0 128.38 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.2 58.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.42 58.82 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 174.15 132.19 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.01 30.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.406 ' C ' ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 165.6 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -88.35 -49.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.497 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 1.2 m-20 -43.81 -52.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 119' ' ' ASN . 18.3 Cg_endo -75.02 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 m 43.08 76.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.438 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.1 p -93.22 93.98 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.052 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -113.79 -152.63 10.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.69 136.28 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -88.04 137.87 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.51 146.36 50.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.01 159.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.77 80.62 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -86.47 146.99 26.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -143.1 -52.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.96 71.86 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.88 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.502 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.48 -51.21 9.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.97 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.4 139.75 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -168.88 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 12' ' ' PRO . 2.2 t -152.14 136.44 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 23.8 m-85 -117.48 -168.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 6.9 m-20 157.03 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 35.5 m 50.04 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.01 120.37 6.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' ND2' HD22 ' A' ' 43' ' ' ASN . 1.6 m-80 -44.64 161.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.85 38.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -151.95 -174.55 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.35 19.36 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.67 153.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.62 165.18 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' CG2' ' A' ' 26' ' ' THR . 6.4 mt -138.43 109.29 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.403 ' CG2' ' C ' ' A' ' 25' ' ' LEU . 70.8 p -151.53 128.96 11.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -140.06 165.12 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -134.57 52.06 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.05 115.48 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.21 77.75 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.6 -55.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 117.18 5.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 79' ' ' LEU . 4.1 p -57.22 173.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 76' ' ' THR . 13.1 tt0 -128.36 133.5 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -102.76 121.19 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -112.42 102.72 10.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.576 ' CD1' HG11 ' A' ' 91' ' ' VAL . 43.2 p90 -107.23 163.53 12.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.2 m -127.86 112.78 20.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.07 122.89 7.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.39 -142.89 1.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.572 1.17 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.5 159.12 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.94 -18.08 13.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 61.08 68.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.9 m-80 66.85 -62.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -72.63 117.33 58.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.14 37.89 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.607 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -63.67 144.2 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 33.4 p -122.86 -35.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -143.81 159.23 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 47' ' ' ILE . 22.7 m-85 -135.28 107.54 7.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.8 mp -89.17 151.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' CH2' ' A' ' 37' ' ' TRP . 2.2 mp -127.33 158.13 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -155.44 156.28 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -142.14 157.5 44.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -123.93 138.24 54.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -89.17 91.12 8.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.59 66.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.85 -31.88 66.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -102.83 -68.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -138.42 103.47 7.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.86 11.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.83 -18.06 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 65' ' ' HIS . 14.3 tp -85.3 102.13 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.238 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 52.8 m95 -92.36 144.62 25.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.046 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 63' ' ' LEU . 93.3 m-70 -129.46 153.44 47.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -67.29 107.16 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.27 -77.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -168.57 160.65 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.64 167.48 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -178.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.02 170.17 13.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.44 19.9 37.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.3 -36.28 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' OE1' ' N ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -84.79 170.81 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.5 p -152.33 20.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.414 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 16.4 p -141.51 120.02 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.41 138.34 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 130.08 38.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 89' ' ' PHE . 6.8 mt -109.04 142.25 40.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -96.86 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 12.3 mt -107.27 154.88 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.87 163.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 136.56 20.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 11.2 m-85 64.2 56.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 87' ' ' TYR . 4.9 t -151.61 95.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -82.51 142.55 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.566 ' CD2' HG11 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -179.18 174.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.429 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.1 p -116.8 179.89 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.509 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 84.4 m-85 -145.37 122.14 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -113.55 -175.86 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 37' ' ' TRP . 76.8 t -154.68 133.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 mtm -118.89 146.19 45.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.519 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -111.41 135.65 51.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.2 t -130.29 129.63 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 55.0 p30 -133.21 -167.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.92 -44.05 14.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' A' ' 16' ' ' VAL . 6.3 mm -60.59 -88.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.06 -156.63 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -96.22 133.26 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.8 p -86.01 174.65 9.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -62.57 159.12 45.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.02 27.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLU . 53.8 p -49.55 151.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -35.92 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 104' ' ' GLU . . . 163.31 109.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.13 170.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 162.78 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.01 97.92 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 117.02 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 119' ' ' ASN . 6.5 tp -120.38 105.68 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -59.12 172.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -55.23 134.99 50.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -145.48 53.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.27 57.09 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -167.74 152.68 6.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -62.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.48 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -74.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.411 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 8.5 t-20 -134.52 142.33 42.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.9 m -85.51 99.38 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -103.73 148.44 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.96 159.82 33.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.81 10.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.2 m -107.23 100.12 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 146.39 24.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 9.8 m-85 -117.42 -165.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.4 m-20 157.24 54.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.631 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.68 161.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 122.24 7.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -45.99 160.8 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.95 39.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.94 171.97 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -149.74 178.43 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 17.34 7.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -41.13 133.16 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.26 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 109' ' ' TYR . 1.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 134.91 45.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 79' ' ' LEU . 38.0 tp -104.81 112.56 25.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.01 122.32 38.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CG ' HG11 ' A' ' 91' ' ' VAL . 34.7 p90 -127.77 163.8 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.9 m -128.64 111.36 19.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 111.99 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.11 -138.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.06 155.09 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -107.2 -16.57 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 45' ' ' SER . 2.8 m120 61.0 67.97 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 12.3 m-80 66.86 -61.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.8 t -72.63 117.52 59.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.07 155.85 42.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.831 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -68.65 143.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 48' ' ' THR . 42.9 p -122.36 -35.09 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -144.31 160.54 40.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.831 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.2 m-85 -135.9 104.75 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.818 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.99 155.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.5 mp -132.58 160.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 24.5 mt-10 -155.37 159.58 40.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -145.77 158.35 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.14 128.62 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -73.35 93.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.24 -25.3 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -78.03 -9.14 58.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -127.46 -68.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 mtmt -135.61 96.71 13.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.06 114.51 4.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.61 -1.28 9.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.5 95.53 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 50.0 m95 -85.76 135.95 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -124.62 172.32 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.2 116.33 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.89 -77.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -168.22 160.87 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pp20? -130.4 171.58 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.744 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -149.19 -175.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.72 169.6 17.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 22.55 24.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.67 -37.6 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.744 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.2 pt20 -84.13 166.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -142.37 14.76 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -138.22 120.83 16.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.67 146.08 51.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -83.43 137.5 33.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 35' ' ' LEU . 9.9 mt -115.13 136.79 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -93.55 110.23 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.3 mt -108.89 159.95 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.66 165.56 32.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 140.24 25.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 63.75 52.16 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG12 ' CE2' ' A' ' 87' ' ' TYR . 2.1 t -147.26 129.75 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 110' ' ' LEU . 11.8 t-20 -121.72 143.89 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER 178.25 170.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.71 -179.06 3.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HD2' HD11 ' A' ' 25' ' ' LEU . 74.2 m-85 -139.42 121.6 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.606 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.0 ptt180 -116.73 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG11 ' CG ' ' A' ' 37' ' ' TRP . 79.0 t -102.38 143.97 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 6.5 mtm -128.06 151.38 49.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.28 133.96 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.818 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -129.12 131.25 68.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.4 p30 -132.72 -167.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -37.85 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -63.71 -77.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.63 -160.74 20.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.761 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.8 ttmt -98.29 129.11 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 79.1 p -80.69 179.96 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -70.68 161.56 76.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.04 144.66 30.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.8 p -49.56 152.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.696 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 6.6 mt-10 -35.53 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.87 104.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.785 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.4 p -60.37 174.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.7 168.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.49 96.97 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.471 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.77 117.44 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 86' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 19.6 m-85 -95.89 -164.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.4 m-20 158.37 51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.9 m 49.96 162.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.03 120.88 6.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.73 164.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.97 151.18 39.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.5 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.36 170.25 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.05 18.73 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.868 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -50.15 130.82 23.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.46 159.27 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD22 ' HD2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.63 131.4 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 tp -107.5 111.47 23.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -96.3 121.96 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.802 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -126.62 162.94 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 88.9 m -128.89 111.77 18.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.04 112.27 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.52 -149.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -50.71 158.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.9 m-20 -110.68 -17.03 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 2.7 m120 60.79 68.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 50.8 m-80 66.66 -62.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 31.8 t -72.22 117.37 57.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.02 153.2 41.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -65.54 144.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.5 p -124.52 -34.1 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -144.73 160.5 41.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.807 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 23.4 m-85 -136.07 105.92 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.08 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.0 mp -126.45 160.57 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -155.03 159.86 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.55 163.28 37.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -145.29 148.91 33.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 58' ' ' MET . 27.7 t0 -91.64 131.99 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -104.29 -19.1 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 58' ' ' MET . 13.3 ttp -89.13 -4.22 58.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.417 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 24.2 m80 -129.83 -74.96 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -128.71 94.1 35.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.98 18.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.28 -15.37 57.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.54 103.09 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 55' ' ' GLU . 80.6 m95 -95.95 140.85 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.54 152.26 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -65.38 128.29 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.616 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.35 -73.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -169.17 166.2 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -133.0 170.73 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.779 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -146.34 -176.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 169.17 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 26.2 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -40.88 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.779 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -81.06 158.6 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -136.34 20.9 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.4 p -146.05 128.8 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -137.47 151.42 48.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.675 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.3 mt-30 -84.96 138.25 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 78' ' ' GLN . 16.9 mt -121.14 132.58 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.08 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.677 HD11 HG11 ' A' ' 33' ' ' VAL . 8.9 mt -107.83 154.01 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.0 m -118.66 161.53 35.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.5 Cg_endo -74.96 139.53 24.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.2 m-85 71.95 50.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -152.98 116.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.564 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 18.0 t30 -108.27 129.05 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.547 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -166.59 170.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.065 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.433 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 58.7 m -108.0 -179.51 3.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 49.8 m-85 -148.56 123.65 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -117.03 175.81 5.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 HD21 ' A' ' 23' ' ' LEU . 30.3 t -137.45 134.02 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.428 ' N ' ' HE2' ' A' ' 92' ' ' MET . 3.6 mtm -117.9 151.75 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.26 138.41 52.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.859 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -133.8 131.2 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.5 p30 -132.6 -167.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -44.58 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.1 mm -58.2 -82.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.78 -157.74 11.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.1 ttpp -96.37 135.07 38.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 78.3 p -87.05 176.86 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.62 161.74 49.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -75.01 144.31 30.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.436 ' OG ' HD22 ' A' ' 23' ' ' LEU . 19.1 p -51.43 156.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.2 mm-40 -37.06 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.77 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 p -61.83 162.07 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.67 150.25 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.477 ' OE1' ' ND2' ' A' ' 86' ' ' ASN . 6.2 mt-30 -80.6 101.46 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -78.72 123.27 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HD11 ' A' ' 97' ' ' ILE . 13.8 m-85 -116.91 -170.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.3 m-20 161.37 52.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 15' ' ' ASP . 32.6 m 50.03 162.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.01 120.88 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.78 163.27 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.99 150.46 38.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.98 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -151.43 174.32 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.21 25.2 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.7 OUTLIER -52.32 133.99 34.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.6 167.61 24.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.796 HG21 ' CE2' ' A' ' 109' ' ' TYR . 3.2 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -87.94 142.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 79' ' ' LEU . 33.3 tp -116.22 111.8 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 m -99.37 118.43 35.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.735 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.0 p90 -121.03 163.89 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 69.2 m -126.41 109.7 23.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.99 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.16 -141.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.89 157.58 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.3 m-20 -109.3 -16.08 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.4 m120 60.56 67.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 5.2 m120 66.67 -61.35 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.5 t -72.41 117.1 55.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.23 43.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.834 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.67 143.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 35.6 p -121.74 -34.3 3.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.89 158.71 43.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.834 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 20.4 m-85 -134.03 105.2 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.822 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.77 152.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -128.38 160.61 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 44.8 mt-10 -154.68 162.66 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -148.3 160.88 42.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.15 144.79 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 59' ' ' HIS . 40.8 t0 -92.8 102.48 14.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.22 -18.64 57.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 34.4 ttm -82.77 -7.33 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 17.4 m80 -132.59 -70.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 95.16 32.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 108.56 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.56 -18.96 5.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 63' ' ' LEU . 11.6 tp -79.82 104.9 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -93.54 136.75 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -128.37 145.88 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.624 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 119.31 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -72.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 155.35 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.9 pp20? -124.94 168.65 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.714 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -144.45 -175.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 168.94 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.73 33.64 4.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.47 -44.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.714 ' NE2' HG11 ' A' ' 70' ' ' VAL . 15.3 pt20 -77.13 147.26 36.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -123.68 18.4 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.3 p -137.24 128.53 28.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.29 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.51 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -78.1 134.2 37.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.916 HD11 HD22 ' A' ' 35' ' ' LEU . 6.8 mt -110.97 135.48 51.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.577 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.1 t-20 -93.57 108.87 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' C ' ' A' ' 80' ' ' ASN . 5.6 mt -105.5 160.54 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.3 m -134.85 154.78 79.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 135.03 18.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 83' ' ' PRO . 4.2 m-85 68.59 47.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 87' ' ' TYR . 16.0 t -152.17 98.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' A' ' 110' ' ' LEU . 47.2 t30 -82.79 147.93 28.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 176.68 170.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 p -113.47 -178.57 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.527 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 75.9 m-85 -150.15 124.16 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 1.0 OUTLIER -115.04 -176.25 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.735 HG11 ' CG ' ' A' ' 37' ' ' TRP . 50.5 t -146.6 132.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.418 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -117.02 152.23 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.33 135.85 54.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.822 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -130.79 131.2 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 55.1 p30 -132.66 -167.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.89 -41.92 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.507 HD11 ' CG ' ' A' ' 14' ' ' TYR . 5.0 mm -60.03 -80.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.5 -159.55 15.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.736 ' HG3' HG22 ' A' ' 94' ' ' VAL . 18.9 ttmt -97.73 126.96 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 58.7 p -79.0 175.28 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.91 161.92 57.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.99 143.69 29.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.2 p -53.94 156.86 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 36.7 mt-10 -38.46 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.99 114.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.26 166.0 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.63 158.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -79.45 96.93 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -83.67 118.49 23.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.628 ' CB ' HD11 ' A' ' 97' ' ' ILE . 84.9 m-85 -74.39 -178.53 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 167.02 49.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.8 m 49.95 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.99 121.76 6.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.94 164.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.5 Cg_endo -74.95 149.63 37.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.49 174.56 13.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.67 21.02 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -49.24 141.11 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.71 167.6 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.526 HD11 ' HD2' ' A' ' 89' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.69 ' OE1' HG22 ' A' ' 76' ' ' THR . 1.0 OUTLIER -103.84 131.12 51.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 17.1 tp -101.74 116.95 33.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -99.11 126.52 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.623 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.6 p90 -131.06 162.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 92.6 m -129.55 110.19 17.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 109.48 2.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.37 -140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.075 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -58.5 158.21 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -107.82 -17.38 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 1.9 m-80 61.07 65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 34.2 m120 68.07 -60.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.483 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 4.4 m -72.99 116.81 54.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 149.04 36.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.816 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -64.61 142.42 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' GLY . 44.0 p -125.33 -33.51 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HE3' HD11 ' A' ' 51' ' ' ILE . 1.9 ttpt -139.61 157.28 46.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 8.2 m-85 -134.9 103.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -88.57 154.62 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.07 158.95 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 22.3 mt-10 -155.53 161.06 40.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -143.65 156.04 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -120.34 133.77 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.17 90.8 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.46 -9.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.5 ttm -84.94 -24.99 28.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -122.47 -75.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.8 96.78 45.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.88 34.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -80.0 101.26 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 81.6 m95 -89.78 140.96 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.063 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -125.63 159.51 31.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -73.15 110.91 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.91 -73.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -171.49 159.23 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -127.93 160.3 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG11 ' CD ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.15 -175.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.62 164.09 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 47' ' ' ILE . . . -82.43 4.76 76.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.0 p -96.17 -21.86 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' CD ' HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -104.81 169.15 8.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p -147.1 20.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.69 HG22 ' OE1' ' A' ' 34' ' ' GLN . 2.9 p -143.55 124.98 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.23 151.52 51.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.533 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -85.56 130.38 34.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -108.45 130.94 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -91.77 109.16 20.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 9.5 mt -103.42 148.54 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -122.87 159.15 54.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 138.36 22.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m-85 70.24 46.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.433 ' CG2' ' C ' ' A' ' 84' ' ' TYR . 1.3 t -150.17 117.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.18 137.18 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -176.28 172.04 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.42 -179.33 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD2' HD11 ' A' ' 25' ' ' LEU . 52.2 m-85 -136.52 122.18 19.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 3.3 ptt180 -115.44 139.11 50.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.623 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.4 t -110.91 135.69 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.401 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.2 mtm -119.55 153.89 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.582 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.62 136.41 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -131.54 130.11 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 56.5 p30 -132.59 -170.01 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -44.23 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.628 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -59.59 -89.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -159.16 -155.3 7.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.689 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.4 ttmt -100.36 127.57 46.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 65.8 p -78.43 -179.1 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.0 mt -72.06 161.59 78.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.0 146.12 32.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 24.5 p -54.12 154.79 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 51.5 mt-10 -36.85 -80.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.02 110.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.566 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 p -65.34 -179.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 172.4 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -96.6 96.96 9.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.666 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -79.5 116.56 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CB ' HD11 ' A' ' 97' ' ' ILE . 45.2 m-85 -95.06 -175.26 3.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 11.9 m-20 166.31 50.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.1 m 49.87 162.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.5 Cg_endo -75.01 122.29 7.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.44 165.23 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.96 147.98 34.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.03 170.18 20.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -151.32 174.35 13.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER 72.25 9.9 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 106' ' ' SER . 1.9 mp -40.79 137.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.47 164.14 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.32 121.55 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.97 HD22 HD11 ' A' ' 79' ' ' LEU . 34.9 tp -93.02 117.96 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 128.69 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.9 p90 -134.46 160.76 37.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 107.987 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 99.4 m -127.19 110.0 21.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.02 108.99 2.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.2 -140.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 156.09 12.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -106.97 -16.34 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.0 m120 60.27 67.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.556 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 55.4 m-80 66.54 -61.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 m -71.63 115.96 42.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.5 Cg_endo -74.94 142.4 27.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.444 1.76 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.804 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.31 141.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -121.99 -33.43 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -146.06 160.24 42.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.804 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 24.9 m-85 -135.55 105.32 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.806 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.39 156.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' ARG . 2.6 mp -132.02 158.66 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 16.2 mt-10 -154.9 152.63 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -137.82 161.58 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -130.01 135.99 48.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.79 98.06 10.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.05 -22.88 44.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.4 ttm -78.53 -0.21 28.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.88 -69.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -131.4 93.88 28.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.68 5.76 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.32 -12.88 12.46 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.02 97.08 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 78.0 m95 -88.53 140.24 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -129.08 161.29 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.5 126.96 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.569 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.67 -75.55 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -167.99 165.55 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -136.24 166.77 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.771 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.56 -176.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.03 170.08 14.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.21 27.53 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.67 -41.07 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.771 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -80.2 156.25 27.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -133.29 18.25 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 p -141.49 118.13 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -131.09 136.9 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.545 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -70.58 138.83 51.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.97 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -114.96 121.61 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.499 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -83.22 107.76 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 80' ' ' ASN . 6.7 mt -102.76 152.84 20.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.788 ' OG ' HG11 ' A' ' 85' ' ' VAL . 6.0 p -118.68 159.64 43.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.0 Cg_endo -75.08 138.25 22.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.612 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.5 m-85 64.32 74.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.792 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.7 p 178.15 113.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.418 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 28.8 t30 -100.75 146.34 27.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.792 ' CD1' HG22 ' A' ' 85' ' ' VAL . 13.8 p90 179.08 165.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -106.76 -177.69 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' HD11 ' A' ' 25' ' ' LEU . 52.5 m-85 -137.98 135.85 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.56 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.91 130.1 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.6 t -101.08 135.88 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.437 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.8 mtm -121.48 154.3 36.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.74 137.16 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -132.02 131.88 61.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.479 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.2 p30 -132.71 -167.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -42.05 31.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.59 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.1 mm -60.7 -82.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.11 -156.96 10.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.3 ttpp -97.61 128.85 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 54.3 p -82.53 177.95 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 mt -69.77 161.77 72.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.97 143.01 28.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.1 p -50.17 163.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 47.0 mt-10 -36.61 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.44 95.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.782 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.3 167.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -56.48 164.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -90.06 100.41 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.93 129.8 34.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 8.7 m-85 -116.3 -164.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.3 m-20 156.56 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.4 m 49.56 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -46.12 163.68 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -151.88 174.34 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.41 10.01 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.9 OUTLIER -42.03 144.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.6 167.39 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.72 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 79' ' ' LEU . 14.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 33' ' ' VAL . 11.1 tt0 -122.02 122.42 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 79' ' ' LEU . 59.1 tp -97.37 113.34 24.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -101.81 117.76 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 91' ' ' VAL . 39.7 p90 -120.09 163.1 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 23.4 m -130.04 112.52 17.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.0 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.68 -139.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.64 158.67 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.2 m-20 -110.34 -17.8 13.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.6 m120 61.06 68.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.8 m-80 66.29 -62.11 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.0 t -72.16 117.09 55.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.03 153.78 41.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.06 144.63 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLY . 27.2 p -123.67 -34.51 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -144.82 160.34 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.836 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 28.1 m-85 -135.86 104.97 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.842 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -89.04 156.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' THR . 2.7 mp -131.86 159.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -155.39 164.84 38.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 22.3 p90 -148.01 158.93 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -122.26 117.37 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.92 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . -61.89 -34.57 76.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.3 ttm -67.56 -48.82 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -79.59 -67.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -143.44 107.48 5.17 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.81 12.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.82 -17.49 30.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 8.5 tp -87.38 96.02 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 65.9 m95 -84.57 140.29 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 107.96 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.69 126.9 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -104.7 -76.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ILE . 9.7 t -168.44 164.34 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 2.5 pp20? -135.05 165.3 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.756 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -142.24 -175.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.08 168.24 18.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.04 24.54 12.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -38.38 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.34 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.756 ' OE1' HG11 ' A' ' 70' ' ' VAL . 2.2 pt20 -86.38 162.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -141.36 19.25 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 p -139.09 121.61 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.86 136.84 44.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.48 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.3 mt-30 -70.95 130.61 42.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -112.48 129.34 56.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.411 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -99.17 108.76 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HA ' ' OH ' ' A' ' 87' ' ' TYR . 1.4 mt -107.72 147.49 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.682 ' HB2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -95.24 166.65 14.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.471 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.0 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.477 ' O ' ' HB ' ' A' ' 85' ' ' VAL . 10.9 m-85 -109.7 84.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 82' ' ' SER . 2.1 p 170.5 153.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -143.85 153.89 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.678 ' CE2' HG22 ' A' ' 85' ' ' VAL . 8.3 p90 172.91 173.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.68 -178.59 3.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.72 ' HD2' HD11 ' A' ' 25' ' ' LEU . 44.6 m-85 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -119.73 125.98 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 37' ' ' TRP . 62.0 t -103.34 129.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.445 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 2.7 mtm -112.19 154.68 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.8 132.91 55.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.842 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -125.76 131.75 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.1 p30 -132.88 -167.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -37.74 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 23.8 mm -64.87 -77.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.77 -160.76 21.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.476 ' HG3' HG22 ' A' ' 94' ' ' VAL . 23.4 ttpp -95.35 132.14 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.4 p -86.11 176.06 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.31 162.15 51.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -52.04 162.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.699 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.5 mm-40 -36.78 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.07 92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.666 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -47.04 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 170.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.52 98.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.74 118.93 20.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.9 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 97' ' ' ILE . 74.8 m-85 -91.1 -177.45 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.6 m-20 167.59 50.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.7 m 49.98 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -43.99 163.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 145.1 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.437 1.756 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.99 155.61 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -136.87 -177.2 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.73 13.48 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD21 HG23 ' A' ' 91' ' ' VAL . 1.1 mp -41.55 122.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.81 170.57 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.598 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 137.15 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.845 HD22 HD11 ' A' ' 79' ' ' LEU . 52.4 tp -108.8 112.81 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -98.71 120.52 39.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -121.72 163.2 19.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.1 m -123.36 108.72 31.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -59.97 -141.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.92 151.7 34.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -103.96 -16.17 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 3.1 m120 60.42 67.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 67.7 m-80 66.87 -61.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.0 t -72.42 117.32 57.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.0 154.05 42.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.862 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.57 142.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' GLY . 77.2 p -123.45 -33.14 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 1.9 ttpt -146.11 157.37 43.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 47' ' ' ILE . 30.4 m-85 -134.33 108.05 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.7 157.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.2 mp -133.53 136.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.98 160.57 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.24 155.31 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.02 142.63 49.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' LYS . 38.3 t0 -90.14 124.49 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -99.52 -11.41 21.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.424 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 30.6 ttm -93.17 -8.34 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -131.87 -79.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.0 mtmt -119.88 95.41 49.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.49 29.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.76 -23.29 29.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -77.88 100.98 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 87.5 m95 -90.61 134.46 34.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 51' ' ' ILE . 19.6 t-80 -86.33 114.32 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -85.22 -77.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -163.39 159.51 22.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -126.21 161.93 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.732 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -137.57 -175.63 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.91 169.19 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.73 23.67 21.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.98 -35.06 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.732 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -87.08 157.57 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 p -133.09 20.09 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.1 p -145.99 123.54 11.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.26 141.37 46.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.478 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.3 mt-30 -76.49 137.12 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 35' ' ' LEU . 7.4 mt -110.99 123.91 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -86.64 109.69 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 109' ' ' TYR . 9.8 mt -107.07 157.96 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -131.16 159.2 72.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.501 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 144.04 29.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.501 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 5.2 m-85 70.25 42.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' CD2' ' A' ' 87' ' ' TYR . 3.1 t -151.03 126.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.609 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 25.1 t30 -117.93 140.51 49.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -179.59 173.17 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -108.14 -178.39 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.726 ' HD2' HD11 ' A' ' 25' ' ' LEU . 23.3 m-85 -129.92 121.59 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.7 ttp180 -109.34 158.31 18.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.81 HG11 ' CG ' ' A' ' 37' ' ' TRP . 57.3 t -137.19 127.23 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.4 mpp? -119.73 158.97 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -127.53 134.1 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.746 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -130.0 133.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.8 p30 -132.58 -167.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -46.13 -44.22 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.2 mm -58.64 -85.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.486 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.96 -155.51 8.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.546 ' CD ' HD13 ' A' ' 51' ' ' ILE . 15.5 ttpp -97.69 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 84.0 p -84.69 163.46 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.22 162.4 0.86 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.531 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.06 140.16 24.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 79.4 p -53.79 157.47 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -41.88 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.01 117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.0 169.25 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.57 152.99 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.468 ' OE1' ' ND2' ' A' ' 86' ' ' ASN . 6.1 mt-30 -79.8 101.51 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE2' HG21 ' A' ' 33' ' ' VAL . 2.3 t80 -77.99 105.22 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 3.3 m-85 -74.07 -170.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 14' ' ' TYR . 14.7 m-20 162.43 146.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 100' ' ' SER . 26.9 m -40.77 160.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.1 Cg_endo -75.05 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 17' ' ' PRO . 5.7 m-20 -39.5 158.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 147.7 34.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -75.05 168.03 25.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -149.84 178.23 9.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.78 18.35 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 91' ' ' VAL . 1.5 mp -46.62 145.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.05 169.13 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.69 HD11 ' HD2' ' A' ' 89' ' ' PHE . 4.1 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 79' ' ' LEU . 12.3 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.83 131.62 50.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 79' ' ' LEU . 9.5 tp -103.93 114.21 28.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -99.44 123.43 43.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.7 p90 -125.53 163.33 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -124.15 110.78 28.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.59 -144.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.99 161.81 10.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -111.79 -18.08 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.8 m120 60.31 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 65.7 m-80 67.32 -60.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.4 t -72.58 115.73 42.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.01 157.2 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.712 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -70.72 150.93 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.502 ' H ' HD13 ' A' ' 47' ' ' ILE . 59.8 p -128.96 -36.14 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -145.23 159.74 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 35.5 m-85 -134.26 109.18 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -88.49 157.2 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -131.11 154.4 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 7.3 mt-10 -145.56 164.03 32.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 12.1 p90 -153.85 157.37 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -130.09 137.71 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' LYS . 34.4 t0 -87.94 96.15 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.07 -18.94 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.8 ttm -81.45 -6.55 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -136.48 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 9.6 mtmt -125.34 94.86 42.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.57 20.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.04 -16.57 60.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -83.38 95.29 8.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -88.88 139.63 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 47.2 m80 -125.77 179.14 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.671 ' CE1' HG23 ' A' ' 51' ' ' ILE . 5.4 t-80 -94.8 114.69 26.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.85 -76.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.0 t -161.93 160.13 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.1 164.98 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -141.31 -175.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.58 167.6 21.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.29 18.11 43.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.2 -27.05 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.712 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.3 pt20 -97.63 167.95 10.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p -142.71 14.46 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.3 p -137.86 123.43 19.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.71 143.23 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.5 mt-30 -79.44 133.73 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.575 HD11 HD22 ' A' ' 35' ' ' LEU . 8.6 mt -114.83 117.44 30.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.96 107.68 13.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -99.09 153.03 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.11 160.73 63.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 146.35 32.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 23.9 m-85 62.35 71.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.83 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.8 p 176.48 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.79 132.26 52.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.83 ' CD1' HG22 ' A' ' 85' ' ' VAL . 3.7 p90 -163.66 170.25 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 m -104.51 -179.03 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.69 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.5 m-85 -133.15 127.13 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HD3' ' CZ3' ' A' ' 64' ' ' TRP . 2.5 ttp180 -108.96 173.85 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 23' ' ' LEU . 49.4 t -153.48 121.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -117.75 149.88 40.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.15 138.16 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.0 t -130.09 130.48 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 57.3 p30 -130.43 -174.61 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -40.05 -47.01 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 14' ' ' TYR . 10.2 mm -58.95 -84.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.74 -157.93 9.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' CD ' HD13 ' A' ' 51' ' ' ILE . 19.7 ttpp -94.58 132.6 39.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 52.0 p -84.11 177.74 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -65.31 160.32 59.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.97 142.22 27.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' GLU . 11.7 p -52.77 154.5 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 17.5 mt-10 -36.15 -80.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 158.84 114.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.501 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.56 167.68 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 152.88 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -79.44 99.84 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -77.58 108.13 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 20.6 m-85 -95.29 -166.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.637 ' O ' ' O ' ' A' ' 16' ' ' VAL . 3.8 m-20 155.6 52.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 ' O ' ' O ' ' A' ' 15' ' ' ASP . 28.8 m 49.72 160.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -74.97 121.66 6.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -43.65 159.69 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -75.0 151.07 39.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.0 170.64 19.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -151.3 -176.15 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.23 20.07 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.6 OUTLIER -42.25 150.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.7 mt-10 -153.41 166.72 31.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 89' ' ' PHE . 3.0 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.727 HG21 ' HE2' ' A' ' 109' ' ' TYR . 6.6 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' CD ' ' HB ' ' A' ' 76' ' ' THR . 0.9 OUTLIER -102.64 131.0 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 79' ' ' LEU . 28.2 tp -100.08 117.49 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.2 p -97.85 124.73 42.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.646 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -127.32 162.27 26.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 63.5 m -122.24 110.94 32.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 109.55 2.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.55 -140.9 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.36 161.66 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.5 m-20 -112.12 -15.64 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 60.07 69.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 44.9 m-80 66.43 -62.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.7 m -71.63 116.83 51.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.98 21.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.864 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -48.74 142.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 19.4 p -122.61 -33.74 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -146.52 158.09 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 33.4 m-85 -134.0 102.73 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -89.05 156.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.444 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.0 mt -132.42 160.47 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 35.4 mt-10 -153.12 166.73 31.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -149.97 151.41 33.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -119.21 136.54 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.25 98.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 55' ' ' GLU . . . -88.21 15.36 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 ttm -102.94 -24.28 13.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -134.31 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -114.74 91.86 27.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.02 25.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 97.32 -27.76 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.34 97.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.605 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.1 m95 -84.15 148.48 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.99 161.53 32.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.72 119.39 19.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.64 -76.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 t -167.83 169.83 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 3.0 pp20? -142.66 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.73 -175.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 172.86 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -85.38 16.04 41.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -126.01 -1.74 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.442 ' C ' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.54 164.07 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' THR . 29.6 p -151.88 17.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 1.6 p -155.41 123.72 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.71 145.57 50.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 3.6 mt-30 -78.23 125.99 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -101.85 122.46 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.0 m120 -83.1 109.51 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 87' ' ' TYR . 11.8 mt -105.07 151.03 24.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -124.21 160.0 54.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 141.24 26.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 64.25 37.32 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 83' ' ' PRO . 2.8 t -141.81 109.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.242 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.479 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -101.24 145.59 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -179.75 174.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 -177.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.4 m-85 -136.7 121.95 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 8.9 ptt180 -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.646 HG11 ' CG ' ' A' ' 37' ' ' TRP . 53.3 t -103.92 143.47 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 5.8 mtm -126.83 154.28 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -124.0 125.01 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -118.76 134.23 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.9 p30 -132.29 -167.09 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -34.38 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.468 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -67.35 -76.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.32 -158.84 14.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.485 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.8 ttpp -97.65 124.09 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 100.0 p -74.57 175.27 7.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -65.99 158.47 75.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HG3' ' NH1' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.99 142.09 27.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.5 p -46.53 151.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 33.2 mt-10 -34.78 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.58 103.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -54.64 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 163.79 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -84.9 96.68 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.727 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -87.25 108.92 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.479 HD22 ' OD1' ' A' ' 86' ' ' ASN . 7.6 tp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.7 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CB ' HD11 ' A' ' 97' ' ' ILE . 93.5 m-85 -73.14 -176.66 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.7 m-20 165.79 50.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.628 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.9 m 49.83 161.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 123.44 7.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.92 163.85 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 148.1 34.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 174.46 12.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -151.65 175.32 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.91 16.67 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -50.67 129.85 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.2 152.46 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 35' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 109' ' ' TYR . 10.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.6 125.23 50.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 11.1 tp -91.61 126.13 36.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -107.95 123.42 48.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.723 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.6 p90 -127.53 163.59 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -128.13 108.73 19.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.98 108.82 2.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.61 -143.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -56.43 156.65 5.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.4 m-20 -106.43 -16.43 14.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 2.7 m120 61.69 67.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.552 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 33.9 m120 67.13 -61.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -72.92 117.12 57.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.794 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -55.82 143.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -124.07 -32.72 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -143.07 161.47 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.794 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 10.7 m-85 -137.19 105.75 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mp -88.89 151.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mt -130.23 156.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 69.1 mt-10 -152.93 159.79 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 11.0 p90 -148.33 158.45 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.07 150.57 52.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 58' ' ' MET . 59.1 t0 -98.38 106.66 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.52 -9.51 58.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 7.0 ttm -87.9 -6.92 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 79.3 m80 -139.96 -77.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mtmt -114.44 93.36 31.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 138.2 22.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 98.41 -29.1 12.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.76 113.95 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.2 m95 -102.96 143.88 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -125.83 150.75 47.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.34 104.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.555 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -78.02 -75.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.7 t -172.18 155.76 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.6 pp20? -121.46 168.42 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.789 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -145.9 -175.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 170.31 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.46 28.46 8.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -43.07 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.789 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -76.96 158.31 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -137.37 17.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.3 p -138.83 115.88 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.55 139.7 52.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.607 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -78.43 136.56 37.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 78' ' ' GLN . 13.3 mt -117.7 142.64 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.08 111.87 23.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' A' ' 109' ' ' TYR . 16.6 mt -110.25 158.86 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.84 168.16 17.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.623 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 134.32 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.623 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 10.0 m-85 64.36 65.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -153.38 94.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -86.32 122.89 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -162.28 175.56 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.547 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 50.9 m -115.69 -177.96 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 88' ' ' SER . 40.9 m-85 -150.53 131.8 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -122.78 -179.2 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.819 HG23 HD21 ' A' ' 23' ' ' LEU . 85.7 t -146.42 135.96 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.2 mtm -120.01 153.33 36.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.61 140.27 51.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -136.69 129.21 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 33.9 p30 -132.05 -171.5 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.2 m -39.6 -41.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.0 mm -63.3 -101.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.566 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -147.51 -153.7 6.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.627 ' HE2' HD13 ' A' ' 51' ' ' ILE . 27.7 ttmt -102.06 127.68 48.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 23.5 p -80.63 172.09 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.91 162.48 16.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.49 27.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.487 ' OG ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.14 161.51 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.724 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 3.4 mt-10 -38.46 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.48 100.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.824 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -54.12 164.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 148.77 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.94 103.6 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.737 ' CE2' HG21 ' A' ' 33' ' ' VAL . 1.6 t80 -76.98 133.6 39.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CB ' HD11 ' A' ' 97' ' ' ILE . 22.4 m-85 -112.17 -172.61 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 165.9 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 15' ' ' ASP . 31.0 m 49.99 161.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.98 122.34 7.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.72 163.74 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 150.64 38.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 168.69 24.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.92 176.52 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER 67.27 10.17 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -39.71 131.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.39 156.13 31.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.4 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.766 HG21 ' HE2' ' A' ' 109' ' ' TYR . 1.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.517 ' H ' HG22 ' A' ' 33' ' ' VAL . 6.0 tt0 -143.66 133.93 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 79' ' ' LEU . 55.3 tp -104.6 123.0 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -107.27 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CG ' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -121.64 163.06 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 9.4 m -129.3 112.76 18.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.04 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.68 -140.0 0.35 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 149.35 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.8 m-20 -103.0 -17.18 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.1 m120 60.63 69.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 25.3 m-80 66.0 -62.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.6 t -71.92 116.91 53.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.04 150.81 38.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -62.51 142.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' GLY . 61.2 p -124.43 -33.45 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -144.22 156.38 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.894 ' CE2' HG21 ' A' ' 47' ' ' ILE . 27.9 m-85 -134.82 103.67 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.825 HD12 HG21 ' A' ' 94' ' ' VAL . 3.6 mt -88.6 154.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mp -131.71 154.81 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -148.52 170.99 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -154.19 160.25 41.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.81 137.38 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' LYS . 48.1 t0 -87.31 96.04 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -77.25 -17.14 58.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 36.0 ttm -77.57 -14.37 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 65.3 m80 -130.19 -70.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -125.59 97.14 36.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 134.73 18.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.13 -23.19 35.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.83 99.81 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 73.0 m95 -86.82 144.81 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -131.73 153.88 49.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.46 122.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -98.71 -76.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -168.82 162.61 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -129.22 163.82 24.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.93 -176.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.72 170.43 14.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.12 33.57 4.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 -45.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.505 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.4 pt20 -77.72 143.52 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 p -119.74 14.86 12.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.6 p -135.78 130.17 33.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.68 137.99 32.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.503 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -69.23 128.75 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.889 HD11 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -105.28 113.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.483 ' C ' HD23 ' A' ' 81' ' ' LEU . 5.3 m-80 -75.71 108.54 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 80' ' ' ASN . 9.2 mt -105.65 156.38 18.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.77 160.75 61.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 143.67 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 18.7 m-85 62.87 76.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.841 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.4 p 176.48 116.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -106.1 136.55 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.841 ' CD1' HG22 ' A' ' 85' ' ' VAL . 5.3 p90 -167.71 175.45 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.417 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 2.8 p -111.34 -178.82 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' HD2' HD11 ' A' ' 25' ' ' LEU . 40.2 m-85 -135.25 121.88 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -119.8 138.84 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG11 ' CG ' ' A' ' 37' ' ' TRP . 99.6 t -111.45 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.43 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.0 mtm -130.33 153.28 48.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.77 128.32 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 HD12 ' A' ' 51' ' ' ILE . 2.8 t -123.55 130.73 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 54.9 p30 -132.25 -167.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.03 -44.19 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.6 mm -59.06 -86.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.38 -155.89 8.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 94' ' ' VAL . 11.5 ttmt -98.62 127.36 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.2 p -78.14 179.01 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 162.18 58.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 146.23 32.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' GLU . 25.0 p -56.22 153.87 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.69 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -36.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.97 106.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.95 170.15 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -92.48 97.61 10.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -81.81 108.61 15.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 110' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CB ' HD11 ' A' ' 97' ' ' ILE . 96.0 m-85 -72.36 -173.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.5 m-20 163.8 51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.6 m 50.29 161.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.98 120.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -43.14 163.27 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 147.45 33.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.0 171.15 18.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.93 174.58 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 106' ' ' SER . 2.5 mp -50.55 132.45 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 149.1 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 35' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' LEU . 12.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -86.68 127.12 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 79' ' ' LEU . 10.1 tp -99.39 114.49 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -96.17 126.46 41.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.708 ' HB3' HG21 ' A' ' 91' ' ' VAL . 37.5 p90 -129.41 161.22 30.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 108.04 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 22.2 m -126.42 109.1 23.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.443 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.93 108.27 2.67 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.18 -144.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.3 154.84 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.46 -16.08 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 2.7 m120 60.58 67.01 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 34.9 m120 67.87 -60.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.491 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.4 m -72.81 116.33 49.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.1 33.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.802 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -60.32 143.21 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLY . 47.9 p -125.06 -32.46 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -142.1 159.04 43.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.802 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 9.7 m-85 -135.4 106.76 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.25 155.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mt -131.7 158.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -154.37 159.18 41.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . 12.3 p90 -145.91 159.86 42.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -135.63 150.18 49.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -99.75 107.01 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -15.57 56.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ttp -85.96 -16.64 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -120.25 -74.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -128.12 98.14 27.51 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.19 17.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.74 -23.53 32.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.34 115.64 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.603 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 66.6 m95 -104.46 138.67 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -121.63 147.93 45.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -64.82 108.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -85.61 -76.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 159.44 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.5 pp20? -124.91 166.52 16.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.622 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.1 -179.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.57 171.95 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -92.29 15.34 62.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 -22.92 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.622 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -98.38 170.2 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -149.02 19.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -148.51 125.72 11.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.64 145.72 43.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 45.3 mt-30 -74.99 142.48 43.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 HD22 ' A' ' 35' ' ' LEU . 13.6 mt -119.58 134.8 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' C ' HD23 ' A' ' 81' ' ' LEU . 2.8 m120 -89.87 108.49 19.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.928 HD12 ' CE1' ' A' ' 109' ' ' TYR . 8.4 mt -106.76 143.67 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.31 157.56 43.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.95 140.1 25.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 17.5 m-85 65.3 72.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.5 p 177.25 109.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -93.09 138.62 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -167.68 168.12 12.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -109.76 -178.7 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.481 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 41.7 m-85 -149.48 128.88 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.0 ptt180 -123.2 175.99 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.708 HG21 ' HB3' ' A' ' 37' ' ' TRP . 91.7 t -137.54 143.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 91' ' ' VAL . 4.0 mpp? -127.43 152.44 47.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.658 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.7 140.86 51.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.9 t -135.97 129.32 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.491 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.1 p30 -127.23 -168.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.11 -41.39 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.686 HD11 ' CB ' ' A' ' 14' ' ' TYR . 2.7 mm -59.74 -83.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -164.46 -154.89 8.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.629 ' HG3' HG22 ' A' ' 94' ' ' VAL . 19.4 ttmt -99.98 134.69 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 85.6 p -84.48 176.63 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -65.46 160.1 62.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 p -45.78 150.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 26.6 mt-10 -38.96 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.39 118.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.688 ' HB3' HD23 ' A' ' 23' ' ' LEU . 7.9 p -67.15 162.01 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.36 153.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.46 96.03 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.5 t80 -92.06 111.68 23.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 29.0 m-85 -97.17 -165.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.4 m-20 157.44 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 33.6 m 49.66 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.07 120.82 6.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -44.59 163.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.97 144.38 30.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.04 171.66 17.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.81 175.79 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.01 14.88 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.004 HD21 HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -50.58 130.12 23.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 151.62 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.784 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 79' ' ' LEU . 9.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.619 ' OE1' HG22 ' A' ' 76' ' ' THR . 0.1 OUTLIER -120.06 128.47 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.7 tp -90.98 118.06 30.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.683 ' CG ' HG11 ' A' ' 91' ' ' VAL . 28.5 p90 -134.28 160.99 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.7 m -127.36 112.04 21.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.29 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.09 -139.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.83 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -17.43 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.0 m120 60.69 68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 41.7 m-80 66.03 -61.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.2 m -71.71 116.46 48.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.22 28.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.806 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.87 142.96 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLY . 40.5 p -122.85 -33.63 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.7 160.14 41.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 17.0 m-85 -134.46 107.26 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.68 153.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 ' CH2' ' A' ' 37' ' ' TRP . 3.7 mt -133.1 155.03 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 11.8 mt-10 -150.63 171.11 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -158.49 160.21 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.542 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -134.84 147.59 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -91.5 93.84 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.96 -3.7 40.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 25.7 ttm -95.95 -4.56 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 41.5 m80 -140.6 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.77 91.68 28.86 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 122.82 7.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.75 -21.76 13.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.62 101.48 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 74.4 m95 -92.64 139.85 30.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -128.63 140.12 51.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 123.2 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -97.94 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -171.52 152.8 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 pp20? -121.81 161.58 22.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.75 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.16 -175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 169.66 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.57 22.71 26.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.23 -34.29 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.75 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.5 pt20 -89.72 160.12 16.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -139.45 22.68 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.619 HG22 ' OE1' ' A' ' 34' ' ' GLN . 8.1 p -145.13 118.0 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.27 137.83 52.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.566 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.28 137.1 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 78' ' ' GLN . 7.7 mt -115.4 125.03 52.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.558 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -87.82 107.83 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.925 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -103.52 161.23 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 163.33 48.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.589 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 145.18 31.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 20.7 m-85 62.32 73.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.854 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.6 p 175.79 112.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.611 ' ND2' HD22 ' A' ' 110' ' ' LEU . 1.3 t-20 -105.5 133.05 50.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.854 ' CD1' HG22 ' A' ' 85' ' ' VAL . 4.7 p90 -165.17 164.04 20.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 m -103.95 -177.78 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.784 ' HD2' HD21 ' A' ' 25' ' ' LEU . 29.7 m-85 -137.2 128.38 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.571 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -121.22 144.44 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 1.004 HG23 HD21 ' A' ' 23' ' ' LEU . 98.2 t -117.27 144.52 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.9 mpp? -130.24 154.66 47.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -123.04 140.55 52.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.7 t -134.76 133.95 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.6 p30 -131.79 -169.82 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -50.32 -37.74 38.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.423 ' HB ' ' OD1' ' A' ' 95' ' ' ASN . 6.9 mm -63.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.94 -159.26 11.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.56 ' CD ' HD13 ' A' ' 51' ' ' ILE . 20.6 ttpp -97.09 143.29 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 88.3 p -96.27 164.97 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.86 163.34 1.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.46 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.95 135.42 19.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 79.0 p -43.78 159.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.736 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 31.9 mt-10 -37.9 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.08 90.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.633 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 156.47 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.41 95.99 5.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.925 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.1 t80 -79.82 130.8 35.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.611 HD22 ' ND2' ' A' ' 86' ' ' ASN . 30.4 tp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CB ' HD11 ' A' ' 97' ' ' ILE . 21.1 m-85 -117.64 -172.58 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.625 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.8 m-20 164.23 52.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.625 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.2 m 49.79 162.57 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.07 121.27 6.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -43.94 164.56 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.01 170.08 21.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.95 179.32 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.65 14.78 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -48.25 133.11 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 149.17 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.5 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.73 131.51 43.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' HA ' HD13 ' A' ' 25' ' ' LEU . 9.2 tp -100.58 113.96 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 m -97.29 117.35 31.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CG ' HG11 ' A' ' 91' ' ' VAL . 46.0 p90 -120.87 162.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 107.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 47.0 m -126.87 112.08 22.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 106.44 2.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.71 -145.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.082 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 153.73 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.1 m-20 -105.24 -17.4 14.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.1 m120 60.47 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 5.4 m120 66.66 -61.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.3 t -72.48 117.19 56.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.22 43.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.792 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -69.14 145.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLY . 69.0 p -125.49 -34.28 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -142.23 158.81 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.792 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 12.0 m-85 -134.02 107.36 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.95 154.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.9 mt -131.58 154.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -148.12 169.83 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' SER . 9.1 p90 -158.2 159.04 35.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.545 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -136.98 150.91 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.3 t0 -99.34 103.96 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -73.79 -28.0 61.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.0 ttm -75.46 -13.5 60.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.407 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 21.9 m80 -119.97 -67.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mmmt -139.28 97.07 8.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.69 2.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.54 -23.2 4.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.65 108.32 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 64.4 m95 -99.09 140.9 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -125.71 152.55 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.6 116.15 6.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.08 -76.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -168.86 159.34 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.88 163.29 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.764 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -139.39 -175.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.82 168.85 17.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.3 23.31 19.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -38.19 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.764 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.6 pt20 -85.68 158.55 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 p -136.16 19.09 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.0 p -142.98 128.73 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.45 149.76 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.3 mt-30 -79.35 141.0 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 78' ' ' GLN . 10.5 mt -117.52 125.31 50.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' HD23 ' A' ' 81' ' ' LEU . 15.8 p-10 -79.27 108.68 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 109' ' ' TYR . 13.0 mt -108.35 147.02 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.44 160.97 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.94 137.18 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.606 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.2 m-85 64.91 79.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.801 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.4 p 173.43 103.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 110' ' ' LEU . 15.7 t30 -86.79 147.9 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.801 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -177.61 171.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -112.3 -178.86 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 42.2 m-85 -148.03 125.25 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.4 ptt180 -118.96 -177.84 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.84 HG11 ' CG ' ' A' ' 37' ' ' TRP . 89.0 t -144.58 145.28 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.8 mpp? -129.51 154.27 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.58 141.5 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -137.73 130.87 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 48.4 p30 -132.92 -171.33 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.4 m -42.01 -50.0 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.3 mm -52.27 -91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -157.73 -155.96 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.653 ' HG3' HG22 ' A' ' 94' ' ' VAL . 26.9 ttmt -100.16 133.67 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.3 p -84.62 175.22 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.53 162.25 58.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 136.13 19.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -50.34 158.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 2.0 mt-10 -42.29 -77.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.39 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.745 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.72 163.46 9.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.46 150.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.54 96.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.8 t80 -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 86' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 97' ' ' ILE . 60.0 m-85 -72.83 -171.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 16' ' ' VAL . 10.3 m-20 164.59 51.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.85 162.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.97 125.18 9.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -48.05 162.85 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.02 148.53 35.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.98 176.0 10.48 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -151.75 177.64 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.97 28.66 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -62.53 131.45 49.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.8 147.81 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.769 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.483 HG22 ' H ' ' A' ' 34' ' ' GLN . 7.1 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -123.54 136.34 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.683 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 tp -104.92 112.99 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -96.12 125.51 40.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.5 p90 -133.44 162.44 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 97.3 m -130.15 113.62 17.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 120.67 6.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -138.81 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.78 156.14 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -106.38 -15.61 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 3.0 m120 60.7 67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 69.1 m-80 67.7 -60.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.3 m -73.28 117.39 59.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.9 23.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.825 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -52.8 142.71 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 20.6 p -123.22 -33.26 3.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.501 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -145.4 161.87 38.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 47' ' ' ILE . 29.6 m-85 -137.68 103.51 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.831 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.19 157.37 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.446 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.1 mt -129.45 160.36 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 20.9 mt-10 -152.51 157.59 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -146.13 162.36 38.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -137.4 146.76 44.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -94.87 95.95 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.79 -22.94 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 4.1 ttp -80.45 -10.63 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -129.83 -71.37 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -121.71 91.78 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.81 8.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.67 -24.24 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -78.72 110.2 13.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 86.1 m95 -101.38 133.29 46.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' HD22 ' A' ' 63' ' ' LEU . 21.4 m-70 -122.58 147.42 46.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.638 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -60.3 132.1 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.68 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -173.16 156.11 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.9 pt-20 -128.07 162.0 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.36 -175.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 169.3 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.38 23.39 19.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.11 -38.06 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.761 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.6 pt20 -85.81 166.26 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -143.44 18.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.7 p -138.3 120.24 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.25 147.32 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -79.08 134.34 36.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 78' ' ' GLN . 7.3 mt -109.64 127.92 54.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.4 m-20 -88.53 109.53 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 109' ' ' TYR . 10.3 mt -105.86 147.53 28.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.63 159.91 48.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.595 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 139.43 24.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.796 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.7 m-85 64.3 72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.771 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.3 p 177.47 118.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.427 ' CB ' ' HG ' ' A' ' 110' ' ' LEU . 53.8 t30 -103.81 146.45 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.771 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -176.18 165.75 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -108.59 -179.09 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' HD2' HD21 ' A' ' 25' ' ' LEU . 21.1 m-85 -134.88 122.42 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -118.7 129.42 55.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.836 HG23 HD21 ' A' ' 23' ' ' LEU . 66.1 t -100.81 141.62 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.7 mtm -124.93 154.52 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.0 135.33 55.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.831 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.64 131.81 66.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 54.8 p30 -132.63 -167.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.36 49.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.657 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.4 mm -60.65 -80.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.79 -159.32 14.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.6 ttpp -94.05 134.43 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.4 p -87.67 177.72 6.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.22 162.37 61.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.03 142.59 27.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 17.2 p -50.34 161.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.679 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -35.68 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.24 89.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.58 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -47.16 161.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 146.54 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -70.78 96.07 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -79.84 115.26 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CB ' HD11 ' A' ' 97' ' ' ILE . 25.5 m-85 -116.87 -174.36 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 164.32 50.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.8 m 49.49 162.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 118.46 5.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -42.35 164.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.5 33.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 91' ' ' VAL . 18.4 Cg_endo -75.03 168.61 24.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -151.15 177.87 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.07 30.44 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 106' ' ' SER . 2.2 mp -60.28 131.94 52.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -158.85 148.47 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.0 mm? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 10.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -115.85 134.64 54.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.0 tp -107.75 112.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -97.68 116.55 30.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.677 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.2 p90 -116.8 162.96 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 98.3 m -126.32 107.28 24.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.349 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -75.08 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.41 -144.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.0 158.66 6.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -109.23 -16.09 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.4 m120 59.96 68.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 4.7 m120 66.53 -62.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' ASN . 41.0 t -72.01 116.11 45.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -74.97 156.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.839 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -70.55 145.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.0 p -125.33 -32.9 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 1.5 ttpt -144.39 157.31 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.839 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.6 m-85 -134.67 107.33 7.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.809 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -87.77 151.39 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.1 mp -125.16 153.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -148.55 162.38 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -148.62 159.57 43.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.14 133.16 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.98 92.66 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -69.61 -26.55 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 ttm -73.73 -26.97 60.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -108.15 -69.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -136.42 101.69 9.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.01 136.31 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.13 -22.86 37.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' HE3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -80.3 106.99 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 62.3 m95 -94.7 136.46 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CE1' HD22 ' A' ' 63' ' ' LEU . 26.3 m-70 -126.28 150.67 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.34 125.84 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.64 -75.21 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -164.65 163.48 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.3 pp20? -130.97 164.43 25.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.64 -175.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.38 170.06 15.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.92 32.67 4.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.83 -43.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.524 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.1 pt20 -79.15 143.0 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -119.2 16.17 13.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.0 p -139.41 129.92 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -139.64 150.46 44.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.531 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.7 mt-30 -82.26 134.77 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 78' ' ' GLN . 8.6 mt -113.41 136.02 53.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.33 109.83 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 27.9 mt -107.06 159.72 16.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.51 161.22 64.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.04 141.64 26.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 16.0 m-85 63.81 74.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.2 p -179.47 123.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.575 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 44.6 t30 -106.38 147.08 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.768 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.4 OUTLIER 179.03 -179.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -178.37 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.664 ' HD2' HD21 ' A' ' 25' ' ' LEU . 26.2 m-85 -130.87 121.34 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 2.5 ttp180 -109.22 158.82 17.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 37' ' ' TRP . 76.4 t -137.33 135.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -125.3 153.0 43.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.08 137.8 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.809 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -133.14 128.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 56.4 p30 -132.82 -169.34 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -46.6 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.535 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.6 mm -56.64 -87.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -161.09 -154.56 7.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.666 ' HG3' HG22 ' A' ' 94' ' ' VAL . 7.5 ttmt -102.69 119.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 47.9 p -69.38 178.03 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -69.77 161.93 71.3 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 144.54 30.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 p -55.25 157.81 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 24.5 mt-10 -39.32 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.12 115.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.601 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.4 t -56.28 165.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 155.01 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -78.31 96.73 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 110' ' ' LEU . 1.3 t80 -105.42 122.25 45.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.566 ' O ' ' CE1' ' A' ' 109' ' ' TYR . 29.1 tp . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.7 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CB ' HD11 ' A' ' 97' ' ' ILE . 33.2 m-85 -102.69 -169.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.2 m-20 159.18 52.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.0 m 49.62 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -75.0 122.72 7.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -44.76 163.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.03 147.21 33.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 175.51 11.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 32.5 p90 -151.51 176.68 11.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 25.22 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -58.9 134.15 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.501 ' C ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -161.46 154.87 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 107' ' ' GLU . 1.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.805 ' CG1' HD11 ' A' ' 81' ' ' LEU . 12.0 p . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -106.02 128.11 53.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 89' ' ' PHE . 41.7 tp -106.23 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -97.23 119.09 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.783 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -122.21 163.95 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.2 m -125.86 110.76 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.02 117.09 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.82 -139.84 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -58.37 155.4 11.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -107.43 -16.29 14.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.5 m120 59.45 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 35.0 m-80 66.65 -61.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 m -71.21 114.35 26.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 141.33 26.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.01 142.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' A' ' 48' ' ' THR . 37.6 p -122.86 -33.56 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -145.62 160.4 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.818 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.9 m-85 -136.16 103.71 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.759 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -88.72 152.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 91' ' ' VAL . 2.8 mp -130.54 161.0 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 23.8 mt-10 -155.83 153.06 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -137.81 159.42 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.31 143.32 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -88.77 99.21 12.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.93 -19.96 50.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 58' ' ' MET . 36.4 ttm -78.38 -5.55 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -135.64 -69.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HE3' HD22 ' A' ' 63' ' ' LEU . 7.4 mtmt -128.41 93.17 39.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.53 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.2 -3.78 6.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD22 ' HE3' ' A' ' 60' ' ' LYS . 11.7 tp -98.45 100.85 12.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 33.6 m95 -93.19 140.58 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -128.76 142.85 50.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.89 110.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.896 ' HG2' HD12 ' A' ' 79' ' ' LEU . 3.4 tp60 -86.63 -78.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -170.42 154.5 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 pt-20 -127.3 159.76 33.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.792 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.75 -175.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -179.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -100.87 18.85 54.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -30.3 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.792 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -87.47 171.53 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 p -146.16 16.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 3.7 p -140.49 127.15 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -136.35 163.61 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.599 ' O ' HD13 ' A' ' 79' ' ' LEU . 6.7 mt-30 -104.65 148.76 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.896 HD12 ' HG2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -124.5 119.62 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.62 106.57 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -128.28 163.67 24.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.9 168.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.04 151.3 39.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 40.1 m-85 59.31 56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.748 HG12 ' CE2' ' A' ' 87' ' ' TYR . 99.2 t -157.5 111.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' C ' ' CG ' ' A' ' 87' ' ' TYR . 64.9 t30 -88.27 161.45 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.748 ' CE2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 169.5 168.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.447 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.4 p -107.6 -178.9 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD22 ' A' ' 35' ' ' LEU . 96.4 m-85 -143.75 122.87 12.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.9 ptt180 -118.2 132.19 56.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 23' ' ' LEU . 93.0 t -103.28 146.97 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.4 mtm -131.72 151.69 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.89 135.95 54.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.759 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.28 131.18 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.4 p30 -132.65 -167.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.79 -41.98 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -60.49 -85.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -160.24 -153.39 6.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.691 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttmt -105.5 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 81.3 p -64.19 -177.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.02 161.01 77.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.94 139.24 24.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.444 ' OG ' HD22 ' A' ' 23' ' ' LEU . 83.6 p -45.05 152.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 63.0 mt-10 -35.02 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.61 96.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.746 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.6 t -44.9 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.81 173.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -91.17 96.21 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 59.3 t80 -92.34 125.95 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.652 ' CB ' HD11 ' A' ' 97' ' ' ILE . 98.3 m-85 -73.39 -179.76 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 16' ' ' VAL . 4.6 m-20 168.47 49.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 15' ' ' ASP . 29.5 m 50.03 162.24 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -49.35 164.15 0.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.63 34.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 171.7 17.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -151.96 174.76 13.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.73 23.93 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 106' ' ' SER . 1.5 mp -59.82 133.8 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.2 mt-10 -161.72 152.18 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 35' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.873 HG12 HD21 ' A' ' 81' ' ' LEU . 9.9 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.57 130.51 35.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 25' ' ' LEU . 28.3 tp -109.27 111.2 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -100.01 117.09 33.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.639 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.3 p90 -122.63 163.33 20.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 52.0 m -129.28 111.62 18.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.39 -141.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -59.05 157.84 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.63 -17.05 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.4 m120 60.6 66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.576 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 35.7 m120 68.04 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.496 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 32.2 m -72.11 113.88 24.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.22 32.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.66 142.12 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLY . 30.2 p -126.3 -32.11 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -138.69 158.86 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 5.2 m-85 -137.68 104.72 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.78 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mp -88.85 155.66 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.434 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.8 mt -132.53 158.18 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 27.2 mt-10 -155.85 140.3 16.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' SER . 5.9 p90 -129.64 158.89 38.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.83 155.9 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -100.91 89.32 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.18 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.517 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 tpp -79.97 -25.68 40.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -117.37 -70.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -115.58 91.14 28.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 120.98 -18.68 8.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -81.76 106.36 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 37.6 m95 -98.33 144.58 27.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -130.48 135.33 47.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.642 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -52.7 104.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.596 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -79.63 -72.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -171.84 164.49 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -126.71 173.03 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.769 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -147.93 -176.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.68 25.73 10.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.33 -38.35 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.769 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -83.11 164.72 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 p -142.06 15.24 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 p -139.59 127.5 22.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.37 149.51 44.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.2 mt-30 -88.23 131.41 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -107.62 139.78 41.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 1.049 ' C ' HD13 ' A' ' 81' ' ' LEU . 7.8 p-10 -106.31 112.73 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -128.58 162.46 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.3 158.47 32.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.443 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.99 161.16 39.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.631 ' O ' HG23 ' A' ' 85' ' ' VAL . 14.8 m-85 57.87 46.15 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.845 HG12 ' CD2' ' A' ' 87' ' ' TYR . 55.9 t -159.21 132.38 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.509 ' C ' ' CD2' ' A' ' 87' ' ' TYR . 6.9 t-20 -101.71 152.15 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.845 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -176.49 165.99 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.5 p -114.05 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 88' ' ' SER . 25.3 m-85 -148.75 130.76 15.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.62 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -127.12 147.66 50.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' CG ' ' A' ' 37' ' ' TRP . 46.7 t -117.03 132.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.404 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.6 mtm -115.39 152.75 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.5 139.88 51.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.78 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -138.97 130.02 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 40.0 p30 -133.0 -172.14 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -37.89 -49.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.652 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.2 mm -54.86 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -155.8 -156.48 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 15.7 ttpp -99.66 134.24 42.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.2 p -85.19 -176.04 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.47 160.91 78.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 143.16 28.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLU . 26.9 p -52.09 154.74 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 39.8 mt-10 -35.42 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.07 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.872 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.1 p -42.66 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 153.57 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -72.4 96.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.659 ' CE2' HG21 ' A' ' 33' ' ' VAL . 58.3 t80 -95.09 117.29 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 85' ' ' VAL . 7.8 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 13' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 97' ' ' ILE . 86.1 m-85 -69.19 -171.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.3 m-20 158.63 50.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 22.0 m 49.11 162.9 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.1 119.22 5.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -40.61 159.45 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.06 149.67 36.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.1 Cg_endo -75.03 163.7 34.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -145.25 -178.4 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER 61.88 14.68 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.7 OUTLIER -40.22 124.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.11 167.37 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 89' ' ' PHE . 1.4 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 ' CE2' ' A' ' 109' ' ' TYR . 11.8 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -101.7 122.36 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 22.6 tp -96.25 111.19 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -97.62 116.08 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -115.67 163.13 16.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 54.2 m -120.17 109.93 36.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.03 -150.01 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.97 164.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 -17.5 12.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 3.2 m120 61.04 67.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 34.3 m120 67.93 -61.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.3 m -72.77 115.62 41.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.54 30.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.9 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -59.62 146.93 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 72' ' ' GLY . 68.3 p -126.12 -30.88 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -149.02 159.0 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 47' ' ' ILE . 37.6 m-85 -135.25 104.27 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.5 mp -89.04 156.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.82 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.3 mp -130.8 139.12 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ARG . 13.6 mt-10 -132.18 149.09 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' SER . 14.8 p90 -135.31 155.67 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -130.41 144.17 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.254 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' MET . 13.4 t0 -93.96 118.77 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.18 -9.06 43.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.464 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 15.8 ttm -91.85 -11.55 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 39.4 m80 -129.07 -78.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mtmt -118.62 94.36 47.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.96 23.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.21 -9.0 77.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 tp -93.88 103.0 15.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 41.9 m95 -95.57 139.15 32.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -121.71 178.09 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.641 ' CE1' HG21 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -85.86 125.61 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -102.43 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.1 t -163.83 155.27 16.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -132.97 151.9 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.46 -175.64 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.61 178.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.11 6.97 81.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.95 -8.29 13.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -85.66 158.85 19.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.461 ' C ' HG23 ' A' ' 76' ' ' THR . 18.9 p -146.21 14.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 75' ' ' THR . 74.1 p -153.24 132.39 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.1 144.26 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt-30 -73.63 135.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 35' ' ' LEU . 7.8 mt -113.78 123.99 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.15 108.53 13.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD12 ' CE1' ' A' ' 109' ' ' TYR . 14.0 mt -107.33 148.44 29.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -111.78 178.97 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -74.95 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -77.46 89.06 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.723 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.1 p -176.39 139.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.507 ' CB ' HD21 ' A' ' 110' ' ' LEU . 34.2 t30 -123.85 147.42 47.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.723 ' CE2' HG22 ' A' ' 85' ' ' VAL . 1.3 p90 178.39 -174.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -125.92 -177.32 3.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HD2' HD11 ' A' ' 25' ' ' LEU . 24.3 m-85 -130.37 122.1 27.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.8 ttp180 -113.66 158.83 20.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG11 ' CG ' ' A' ' 37' ' ' TRP . 86.2 t -137.14 135.39 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.441 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -125.2 154.83 40.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 47' ' ' ILE . . . -122.92 133.56 54.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -124.72 129.86 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.7 p30 -132.04 -167.97 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -40.06 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.9 mm -65.65 -85.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.71 -154.37 7.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.597 ' HE2' HD13 ' A' ' 51' ' ' ILE . 23.7 ttmt -100.83 119.02 38.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 46.1 p -68.29 168.13 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.48 162.97 1.46 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -74.95 145.17 31.33 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 57.5 p -55.5 152.54 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 22.3 mt-10 -37.6 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.74 110.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.883 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.11 168.88 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.57 160.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.24 96.27 8.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.508 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -78.66 123.06 26.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 23.8 m-85 -117.48 -168.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.9 m-20 157.03 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.5 m 50.04 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.01 120.37 6.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.64 161.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.1 Cg_endo -75.02 150.85 38.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.0 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -151.95 -174.55 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.35 19.36 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.8 OUTLIER -42.67 153.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.62 165.18 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 109' ' ' TYR . 6.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' H ' HG22 ' A' ' 33' ' ' VAL . 7.3 tt0 -128.36 133.5 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.95 HD13 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -102.76 121.19 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -112.42 102.72 10.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.95 ' CE3' HD13 ' A' ' 35' ' ' LEU . 43.2 p90 -107.23 163.53 12.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 91.2 m -127.86 112.78 20.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.07 122.89 7.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.39 -142.89 1.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.572 1.17 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.5 159.12 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.5 m-20 -109.94 -18.08 13.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.1 m120 61.08 68.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 4.9 m120 66.85 -62.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -72.63 117.33 58.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -74.97 150.14 37.89 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.859 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -63.67 144.2 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 33.4 p -122.86 -35.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -143.81 159.23 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.859 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 m-85 -135.28 107.54 7.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.821 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -89.17 151.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.73 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.2 mp -127.33 158.13 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -155.44 156.28 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 16.8 p90 -142.14 157.5 44.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -123.93 138.24 54.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -89.17 91.12 8.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -68.48 -27.59 66.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.85 -31.88 66.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -102.83 -68.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -138.42 103.47 7.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.86 11.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.83 -18.06 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.3 tp -85.3 102.13 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.238 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 52.8 m95 -92.36 144.62 25.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.046 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.46 153.44 47.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -67.29 107.16 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.41 HE21 HD13 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -83.27 -77.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -168.57 160.65 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.64 167.48 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.47 -178.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.02 170.17 13.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.44 19.9 37.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.3 -36.28 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.629 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -84.79 170.81 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.5 p -152.33 20.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.414 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 16.4 p -141.51 120.02 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.41 138.34 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.559 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -74.71 130.08 38.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 78' ' ' GLN . 6.8 mt -109.04 142.25 40.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -96.86 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 89' ' ' PHE . 12.3 mt -107.27 154.88 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.87 163.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 136.56 20.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 11.2 m-85 64.2 56.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 87' ' ' TYR . 4.9 t -151.61 95.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 86' ' ' ASN . 1.6 t-20 -82.51 142.55 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -179.18 174.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.429 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.1 p -116.8 179.89 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 81' ' ' LEU . 84.4 m-85 -145.37 122.14 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -113.55 -175.86 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 37' ' ' TRP . 76.8 t -154.68 133.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.489 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 4.0 mtm -118.89 146.19 45.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -111.41 135.65 51.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.821 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.2 t -130.29 129.63 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 55.0 p30 -133.21 -167.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.92 -44.05 14.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 6.3 mm -60.59 -88.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -162.06 -156.63 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.702 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.3 ttmt -96.22 133.26 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.8 p -86.01 174.65 9.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -62.57 159.12 45.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.02 27.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLU . 53.8 p -49.55 151.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -35.92 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.31 109.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.13 170.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 162.78 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.01 97.92 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.578 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -81.83 117.02 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 168.71 6.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.959 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -159.67 115.17 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.08 -178.26 20.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.04 152.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.97 167.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.66 91.94 1.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.5 Cg_endo -74.96 117.88 5.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.2 t -175.3 123.94 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 64.5 6.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -112.6 138.24 21.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.02 -170.53 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -151.89 131.4 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 9.8 m-85 -117.42 -165.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.4 m-20 157.24 54.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.631 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.68 161.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 122.24 7.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -45.99 160.8 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.95 39.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.94 171.97 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -149.74 178.43 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 17.34 7.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -41.13 133.16 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.26 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 109' ' ' TYR . 1.3 mt -135.63 107.91 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -141.8 137.56 31.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.671 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -146.85 -172.5 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 3.6 pt20 175.15 40.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.628 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -110.61 -75.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.47 -71.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 56.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.628 ' OG ' HD22 ' A' ' 29' ' ' LEU . 85.7 p -178.15 105.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 27' ' ' ASP . 8.2 p -91.8 146.22 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 134.91 45.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 79' ' ' LEU . 38.0 tp -104.81 112.56 25.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.01 122.32 38.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CG ' HG11 ' A' ' 91' ' ' VAL . 34.7 p90 -127.77 163.8 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.9 m -128.64 111.36 19.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 111.99 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.11 -138.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.06 155.09 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -107.2 -16.57 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 45' ' ' SER . 2.8 m120 61.0 67.97 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 12.3 m-80 66.86 -61.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.8 t -72.63 117.52 59.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.07 155.85 42.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.831 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -68.65 143.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 48' ' ' THR . 42.9 p -122.36 -35.09 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -144.31 160.54 40.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.831 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.2 m-85 -135.9 104.75 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.818 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.99 155.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.5 mp -132.58 160.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 24.5 mt-10 -155.37 159.58 40.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -145.77 158.35 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.14 128.62 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -73.35 93.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.24 -25.3 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -78.03 -9.14 58.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -127.46 -68.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 mtmt -135.61 96.71 13.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.06 114.51 4.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.61 -1.28 9.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.5 95.53 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 50.0 m95 -85.76 135.95 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -124.62 172.32 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.2 116.33 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.89 -77.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -168.22 160.87 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pp20? -130.4 171.58 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.744 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -149.19 -175.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.72 169.6 17.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 22.55 24.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.67 -37.6 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.744 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.2 pt20 -84.13 166.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -142.37 14.76 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -138.22 120.83 16.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.67 146.08 51.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -83.43 137.5 33.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 35' ' ' LEU . 9.9 mt -115.13 136.79 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -93.55 110.23 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.3 mt -108.89 159.95 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.588 ' O ' HG21 ' A' ' 111' ' ' THR . 0.0 OUTLIER -129.66 165.56 32.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 140.24 25.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 63.75 52.16 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG12 ' CE2' ' A' ' 87' ' ' TYR . 2.1 t -147.26 129.75 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 110' ' ' LEU . 11.8 t-20 -121.72 143.89 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER 178.25 170.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.71 -179.06 3.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HD2' HD11 ' A' ' 25' ' ' LEU . 74.2 m-85 -139.42 121.6 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.606 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.0 ptt180 -116.73 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG11 ' CG ' ' A' ' 37' ' ' TRP . 79.0 t -102.38 143.97 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 6.5 mtm -128.06 151.38 49.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.28 133.96 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.818 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -129.12 131.25 68.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.4 p30 -132.72 -167.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -37.85 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -63.71 -77.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.63 -160.74 20.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.761 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.8 ttmt -98.29 129.11 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 79.1 p -80.69 179.96 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -70.68 161.56 76.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.04 144.66 30.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.8 p -49.56 152.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.696 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 6.6 mt-10 -35.53 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.87 104.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.785 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.4 p -60.37 174.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.7 168.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.49 96.97 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.471 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.77 117.44 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 111' ' ' THR . 0.9 OUTLIER -116.24 120.26 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.605 ' O ' HD13 ' A' ' 110' ' ' LEU . 24.9 p -64.05 178.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -75.68 142.6 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -141.79 -166.51 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -85.8 45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 11.3 tt0 175.81 139.73 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 115' ' ' GLU . 18.4 Cg_endo -75.01 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.34 130.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.72 -91.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.11 136.59 31.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.22 2.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.5 p -111.0 97.53 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.0 p -86.67 157.15 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -169.52 157.13 28.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 78.45 2.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -88.65 130.74 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t 61.13 87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -161.13 146.08 13.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -160.14 162.04 33.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 -130.06 4.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.65 99.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -146.49 151.86 38.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.75 118.91 6.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.07 4.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -76.6 -50.58 2.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.9 -57.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.54 35.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -167.1 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.7 p -130.83 117.67 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 19.6 m-85 -95.89 -164.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.4 m-20 158.37 51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.9 m 49.96 162.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.03 120.88 6.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.73 164.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.97 151.18 39.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.5 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.36 170.25 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.05 18.73 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.868 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -50.15 130.82 23.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.46 159.27 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD22 ' HD2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER -123.97 112.36 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -146.13 136.61 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-10 -146.43 -168.65 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.12 -46.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.04 128.91 34.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.78 95.68 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.0 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -134.4 117.13 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.046 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.9 p -86.26 138.96 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.63 131.4 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 tp -107.5 111.47 23.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -96.3 121.96 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.802 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -126.62 162.94 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 88.9 m -128.89 111.77 18.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.04 112.27 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.52 -149.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -50.71 158.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.9 m-20 -110.68 -17.03 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 2.7 m120 60.79 68.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 50.8 m-80 66.66 -62.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 31.8 t -72.22 117.37 57.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.02 153.2 41.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -65.54 144.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.5 p -124.52 -34.1 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -144.73 160.5 41.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.807 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 23.4 m-85 -136.07 105.92 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.08 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.0 mp -126.45 160.57 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -155.03 159.86 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.55 163.28 37.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -145.29 148.91 33.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 58' ' ' MET . 27.7 t0 -91.64 131.99 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.564 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -104.29 -19.1 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.433 ' CG ' ' O ' ' A' ' 58' ' ' MET . 13.3 ttp -89.13 -4.22 58.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 24.2 m80 -129.83 -74.96 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -128.71 94.1 35.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.98 18.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.28 -15.37 57.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.54 103.09 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 55' ' ' GLU . 80.6 m95 -95.95 140.85 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.54 152.26 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -65.38 128.29 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.616 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.35 -73.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -169.17 166.2 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -133.0 170.73 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.779 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -146.34 -176.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 169.17 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 26.2 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -40.88 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.779 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -81.06 158.6 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -136.34 20.9 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 47.4 p -146.05 128.8 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -137.47 151.42 48.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.675 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.3 mt-30 -84.96 138.25 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 78' ' ' GLN . 16.9 mt -121.14 132.58 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.08 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.677 HD11 HG11 ' A' ' 33' ' ' VAL . 8.9 mt -107.83 154.01 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.0 m -118.66 161.53 35.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.5 Cg_endo -74.96 139.53 24.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.2 m-85 71.95 50.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -152.98 116.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.564 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 18.0 t30 -108.27 129.05 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -166.59 170.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.065 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.433 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 58.7 m -108.0 -179.51 3.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 49.8 m-85 -148.56 123.65 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -117.03 175.81 5.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 HD21 ' A' ' 23' ' ' LEU . 30.3 t -137.45 134.02 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.428 ' N ' ' HE2' ' A' ' 92' ' ' MET . 3.6 mtm -117.9 151.75 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.26 138.41 52.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.859 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -133.8 131.2 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.5 p30 -132.6 -167.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -44.58 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.1 mm -58.2 -82.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.78 -157.74 11.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.1 ttpp -96.37 135.07 38.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 78.3 p -87.05 176.86 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.62 161.74 49.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -75.01 144.31 30.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.436 ' OG ' HD22 ' A' ' 23' ' ' LEU . 19.1 p -51.43 156.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.2 mm-40 -37.06 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.77 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 p -61.83 162.07 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.67 150.25 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.477 ' OE1' ' ND2' ' A' ' 86' ' ' ASN . 6.2 mt-30 -80.6 101.46 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -78.72 123.27 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.4 OUTLIER -124.33 113.04 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -68.0 165.23 18.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -53.29 134.13 39.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -137.97 51.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.6 m 40.4 51.61 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.76 149.58 17.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.49 163.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.77 92.37 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 72.36 107.56 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.7 m -61.53 101.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.9 143.15 45.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -107.35 -143.78 11.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.9 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.1 m -144.84 94.58 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t 54.65 90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -174.14 166.81 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -162.94 138.46 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.22 -178.01 27.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -80.0 161.71 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -142.17 100.89 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.57 -156.54 8.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 72.32 4.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -136.46 89.93 18.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 88.11 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -151.62 138.46 11.96 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -151.3 133.75 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HD11 ' A' ' 97' ' ' ILE . 13.8 m-85 -116.91 -170.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.3 m-20 161.37 52.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 15' ' ' ASP . 32.6 m 50.03 162.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.01 120.88 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.78 163.27 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.99 150.46 38.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.98 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -151.43 174.32 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.21 25.2 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.7 OUTLIER -52.32 133.99 34.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.6 167.61 24.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.32 118.24 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -149.49 124.88 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -146.33 -178.27 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -175.78 40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -101.54 -75.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.16 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -131.02 56.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.417 ' OG ' HD22 ' A' ' 29' ' ' LEU . 92.3 p -166.05 90.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.796 HG21 ' CE2' ' A' ' 109' ' ' TYR . 3.2 p -84.82 129.92 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -87.94 142.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 79' ' ' LEU . 33.3 tp -116.22 111.8 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 m -99.37 118.43 35.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.735 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.0 p90 -121.03 163.89 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 69.2 m -126.41 109.7 23.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.99 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.16 -141.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.89 157.58 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.3 m-20 -109.3 -16.08 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.4 m120 60.56 67.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 11.2 m-80 66.67 -61.35 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.5 t -72.41 117.1 55.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.23 43.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.834 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.67 143.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 35.6 p -121.74 -34.3 3.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.89 158.71 43.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.834 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 20.4 m-85 -134.03 105.2 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.822 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.77 152.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -128.38 160.61 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 44.8 mt-10 -154.68 162.66 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -148.3 160.88 42.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.15 144.79 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 59' ' ' HIS . 40.8 t0 -92.8 102.48 14.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.22 -18.64 57.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 34.4 ttm -82.77 -7.33 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 17.4 m80 -132.59 -70.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 95.16 32.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 108.56 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.56 -18.96 5.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 63' ' ' LEU . 11.6 tp -79.82 104.9 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -93.54 136.75 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -128.37 145.88 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.624 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.05 119.31 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -72.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 155.35 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.9 pp20? -124.94 168.65 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.714 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -144.45 -175.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 168.94 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.73 33.64 4.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.47 -44.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.714 ' NE2' HG11 ' A' ' 70' ' ' VAL . 15.3 pt20 -77.13 147.26 36.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -123.68 18.4 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.3 p -137.24 128.53 28.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.29 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.51 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -78.1 134.2 37.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.916 HD11 HD22 ' A' ' 35' ' ' LEU . 6.8 mt -110.97 135.48 51.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.577 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.1 t-20 -93.57 108.87 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' C ' ' A' ' 80' ' ' ASN . 5.6 mt -105.5 160.54 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.3 m -134.85 154.78 79.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 135.03 18.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.679 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 4.2 m-85 68.59 47.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 87' ' ' TYR . 16.0 t -152.17 98.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' A' ' 110' ' ' LEU . 47.2 t30 -82.79 147.93 28.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 176.68 170.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 p -113.47 -178.57 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 75.9 m-85 -150.15 124.16 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 1.0 OUTLIER -115.04 -176.25 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.735 HG11 ' CG ' ' A' ' 37' ' ' TRP . 50.5 t -146.6 132.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.418 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -117.02 152.23 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.33 135.85 54.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.822 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -130.79 131.2 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 55.1 p30 -132.66 -167.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.89 -41.92 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.507 HD11 ' CG ' ' A' ' 14' ' ' TYR . 5.0 mm -60.03 -80.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.5 -159.55 15.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.736 ' HG3' HG22 ' A' ' 94' ' ' VAL . 18.9 ttmt -97.73 126.96 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 58.7 p -79.0 175.28 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.91 161.92 57.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.99 143.69 29.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.2 p -53.94 156.86 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 36.7 mt-10 -38.46 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.99 114.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.26 166.0 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.63 158.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -79.45 96.93 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -83.67 118.49 23.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -116.15 124.98 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.5 p -77.35 157.54 30.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -56.58 156.62 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.679 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -164.05 130.7 3.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -62.37 79.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER 169.44 120.67 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.77 33.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -158.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.98 77.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 1.1 m-20 168.8 -53.66 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 119' ' ' ASN . 18.4 Cg_endo -75.0 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.35 148.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.7 t 176.93 147.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -162.52 154.01 24.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -123.97 104.71 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 p -169.49 111.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -104.49 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 59.76 96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.1 161.47 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -99.26 161.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.06 153.41 50.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.96 -153.68 24.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.92 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -143.98 89.2 7.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -155.62 138.69 10.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 170.06 21.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.01 86.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.628 ' CB ' HD11 ' A' ' 97' ' ' ILE . 84.9 m-85 -74.39 -178.53 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 167.02 49.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.8 m 49.95 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.99 121.76 6.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.94 164.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.5 Cg_endo -74.95 149.63 37.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.49 174.56 13.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.67 21.02 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -49.24 141.11 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.71 167.6 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.526 HD11 ' HD2' ' A' ' 89' ' ' PHE . 5.0 mt -138.51 103.66 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -143.77 137.11 27.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 33' ' ' VAL . 2.4 p-10 -146.67 -167.34 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -133.74 -46.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.94 124.68 37.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -74.34 94.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 172.71 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.04 92.11 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p -75.31 148.33 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.69 ' OE1' HG22 ' A' ' 76' ' ' THR . 1.0 OUTLIER -103.84 131.12 51.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 17.1 tp -101.74 116.95 33.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -99.11 126.52 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.623 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.6 p90 -131.06 162.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 92.6 m -129.55 110.19 17.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 109.48 2.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.37 -140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.075 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -58.5 158.21 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -107.82 -17.38 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 1.9 m-80 61.07 65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 34.2 m120 68.07 -60.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.483 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 4.4 m -72.99 116.81 54.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 149.04 36.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.816 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -64.61 142.42 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' GLY . 44.0 p -125.33 -33.51 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HE3' HD11 ' A' ' 51' ' ' ILE . 1.9 ttpt -139.61 157.28 46.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 8.2 m-85 -134.9 103.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -88.57 154.62 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.07 158.95 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 22.3 mt-10 -155.53 161.06 40.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -143.65 156.04 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -120.34 133.77 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.17 90.8 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.46 -9.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.5 ttm -84.94 -24.99 28.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -122.47 -75.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.8 96.78 45.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.88 34.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -80.0 101.26 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 81.6 m95 -89.78 140.96 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.063 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -125.63 159.51 31.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -73.15 110.91 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.91 -73.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -171.49 159.23 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -127.93 160.3 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG11 ' CD ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.15 -175.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.62 164.09 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 47' ' ' ILE . . . -82.43 4.76 76.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.0 p -96.17 -21.86 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' CD ' HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -104.81 169.15 8.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p -147.1 20.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.69 HG22 ' OE1' ' A' ' 34' ' ' GLN . 2.9 p -143.55 124.98 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.23 151.52 51.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.533 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -85.56 130.38 34.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -108.45 130.94 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -91.77 109.16 20.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 9.5 mt -103.42 148.54 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -122.87 159.15 54.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 138.36 22.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m-85 70.24 46.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.433 ' CG2' ' C ' ' A' ' 84' ' ' TYR . 1.3 t -150.17 117.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.18 137.18 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -176.28 172.04 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.42 -179.33 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD2' HD11 ' A' ' 25' ' ' LEU . 52.2 m-85 -136.52 122.18 19.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 3.3 ptt180 -115.44 139.11 50.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.623 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.4 t -110.91 135.69 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.401 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.2 mtm -119.55 153.89 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.582 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.62 136.41 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -131.54 130.11 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 56.5 p30 -132.59 -170.01 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -44.23 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.628 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -59.59 -89.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -159.16 -155.3 7.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.689 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.4 ttmt -100.36 127.57 46.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 65.8 p -78.43 -179.1 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.0 mt -72.06 161.59 78.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.0 146.12 32.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 24.5 p -54.12 154.79 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 51.5 mt-10 -36.85 -80.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.02 110.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.566 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 p -65.34 -179.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 172.4 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -96.6 96.96 9.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.666 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -79.5 116.56 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.1 tp -126.19 114.99 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.3 p -73.9 172.26 11.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -51.42 130.98 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -145.87 56.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.83 57.89 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.76 148.03 1.69 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ASP . 18.2 Cg_endo -74.99 -59.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' PRO . 2.7 t0 -39.9 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -84.68 -60.86 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -134.1 133.46 21.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.61 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.4 m -73.47 124.22 25.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.73 156.24 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -93.69 -144.27 15.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.98 5.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.81 132.77 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.3 t -103.9 127.78 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -104.72 129.78 52.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.61 140.25 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.57 158.46 8.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -144.99 -57.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -71.64 146.05 48.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.34 101.05 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.99 142.96 28.52 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.1 t -175.42 124.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 137.59 3.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -74.99 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 p -132.09 110.17 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CB ' HD11 ' A' ' 97' ' ' ILE . 45.2 m-85 -95.06 -175.26 3.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 11.9 m-20 166.31 50.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.1 m 49.87 162.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.5 Cg_endo -75.01 122.29 7.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -46.44 165.23 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.96 147.98 34.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.03 170.18 20.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -151.32 174.35 13.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER 72.25 9.9 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 106' ' ' SER . 1.9 mp -40.79 137.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.47 164.14 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.2 mt -138.11 102.59 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.0 p -143.36 121.78 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.789 ' HB3' HG23 ' A' ' 33' ' ' VAL . 2.9 p-10 -146.5 158.96 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -132.89 60.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -147.29 -48.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 8.1 t70 78.33 75.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt 170.3 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 m -138.47 70.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' A' ' 27' ' ' ASP . 14.8 p -55.05 148.38 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.32 121.55 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.97 HD22 HD11 ' A' ' 79' ' ' LEU . 34.9 tp -93.02 117.96 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 128.69 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.9 p90 -134.46 160.76 37.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 107.987 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 99.4 m -127.19 110.0 21.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.02 108.99 2.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.2 -140.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 156.09 12.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -106.97 -16.34 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.0 m120 60.27 67.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.556 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 55.4 m-80 66.54 -61.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 m -71.63 115.96 42.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.5 Cg_endo -74.94 142.4 27.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.444 1.76 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.804 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.31 141.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -121.99 -33.43 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -146.06 160.24 42.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.804 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 24.9 m-85 -135.55 105.32 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.806 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.39 156.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' ARG . 2.6 mp -132.02 158.66 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 16.2 mt-10 -154.9 152.63 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -137.82 161.58 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -130.01 135.99 48.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.79 98.06 10.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.05 -22.88 44.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.4 ttm -78.53 -0.21 28.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.88 -69.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -131.4 93.88 28.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.68 5.76 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.32 -12.88 12.46 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.02 97.08 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 78.0 m95 -88.53 140.24 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -129.08 161.29 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.5 126.96 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.569 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.67 -75.55 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -167.99 165.55 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -136.24 166.77 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.771 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.56 -176.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.03 170.08 14.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.21 27.53 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.67 -41.07 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.771 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -80.2 156.25 27.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -133.29 18.25 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 p -141.49 118.13 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -131.09 136.9 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.545 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -70.58 138.83 51.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.97 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -114.96 121.61 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.499 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -83.22 107.76 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 80' ' ' ASN . 6.7 mt -102.76 152.84 20.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.788 ' OG ' HG11 ' A' ' 85' ' ' VAL . 6.0 p -118.68 159.64 43.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.0 Cg_endo -75.08 138.25 22.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.612 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.5 m-85 64.32 74.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.792 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.7 p 178.15 113.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.509 ' ND2' ' HB2' ' A' ' 110' ' ' LEU . 1.4 t-20 -100.75 146.34 27.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.792 ' CD1' HG22 ' A' ' 85' ' ' VAL . 13.8 p90 179.08 165.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -106.76 -177.69 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' HD11 ' A' ' 25' ' ' LEU . 52.5 m-85 -137.98 135.85 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.56 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.91 130.1 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.6 t -101.08 135.88 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.437 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.8 mtm -121.48 154.3 36.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.74 137.16 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -132.02 131.88 61.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.479 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.2 p30 -132.71 -167.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -42.05 31.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.59 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.1 mm -60.7 -82.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.11 -156.96 10.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.3 ttpp -97.61 128.85 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 54.3 p -82.53 177.95 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 mt -69.77 161.77 72.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.97 143.01 28.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.1 p -50.17 163.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 47.0 mt-10 -36.61 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.44 95.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.782 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.3 167.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -56.48 164.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -90.06 100.41 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.93 129.8 34.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 119' ' ' ASN . 8.7 tp -118.06 119.81 35.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 82' ' ' SER . 77.4 p -68.3 -176.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -72.25 160.35 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.603 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -170.47 -171.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.28 65.95 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.0 139.13 0.44 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t0 70.42 169.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.15 -77.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.535 ' HA ' HD23 ' A' ' 110' ' ' LEU . 26.0 t-20 -125.77 99.86 31.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 95.36 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -129.33 -54.89 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.8 t -113.63 -59.43 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.86 168.5 30.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.5 p -165.81 160.81 17.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.45 144.13 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 55.78 166.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.35 135.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.63 -165.63 26.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.03 165.95 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -140.58 154.39 46.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -149.05 5.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.2 Cg_endo -75.03 74.35 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.2 t -174.87 123.81 0.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.45 136.01 14.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 -170.87 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -152.0 128.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 8.7 m-85 -116.3 -164.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.3 m-20 156.56 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.4 m 49.56 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -46.12 163.68 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -151.88 174.34 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.41 10.01 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.9 OUTLIER -42.03 144.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.6 167.39 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.72 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.6 mt -134.8 108.08 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 25' ' ' LEU . 40.3 p -150.37 126.85 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' CG ' HG23 ' A' ' 33' ' ' VAL . 20.1 p-10 -144.37 171.79 13.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -143.07 34.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -141.68 114.7 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.25 65.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.588 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -156.39 -48.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.93 133.97 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.955 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 79' ' ' LEU . 14.2 p -82.85 168.5 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 33' ' ' VAL . 11.1 tt0 -122.02 122.42 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 79' ' ' LEU . 59.1 tp -97.37 113.34 24.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -101.81 117.76 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 91' ' ' VAL . 39.7 p90 -120.09 163.1 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 23.4 m -130.04 112.52 17.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.0 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.68 -139.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.64 158.67 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.2 m-20 -110.34 -17.8 13.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.6 m120 61.06 68.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.8 m-80 66.29 -62.11 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.0 t -72.16 117.09 55.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.03 153.78 41.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.06 144.63 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLY . 27.2 p -123.67 -34.51 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -144.82 160.34 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.836 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 28.1 m-85 -135.86 104.97 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.842 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -89.04 156.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' THR . 2.7 mp -131.86 159.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -155.39 164.84 38.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 22.3 p90 -148.01 158.93 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -122.26 117.37 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.92 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . -61.89 -34.57 76.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.3 ttm -67.56 -48.82 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -79.59 -67.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -143.44 107.48 5.17 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.81 12.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.82 -17.49 30.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 8.5 tp -87.38 96.02 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 65.9 m95 -84.57 140.29 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 107.96 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.69 126.9 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -104.7 -76.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ILE . 9.7 t -168.44 164.34 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 2.5 pp20? -135.05 165.3 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.756 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -142.24 -175.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.08 168.24 18.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.04 24.54 12.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -38.38 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.34 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.756 ' OE1' HG11 ' A' ' 70' ' ' VAL . 2.2 pt20 -86.38 162.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -141.36 19.25 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 p -139.09 121.61 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.86 136.84 44.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.48 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.3 mt-30 -70.95 130.61 42.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -112.48 129.34 56.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.411 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -99.17 108.76 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HA ' ' OH ' ' A' ' 87' ' ' TYR . 1.4 mt -107.72 147.49 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.682 ' HB2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -95.24 166.65 14.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.685 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 18.2 Cg_endo -75.0 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.657 ' HD1' ' HB1' ' A' ' 113' ' ' ALA . 10.9 m-85 -109.7 84.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 82' ' ' SER . 2.1 p 170.5 153.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -143.85 153.89 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.678 ' CE2' HG22 ' A' ' 85' ' ' VAL . 8.3 p90 172.91 173.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.68 -178.59 3.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.72 ' HD2' HD11 ' A' ' 25' ' ' LEU . 44.6 m-85 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -119.73 125.98 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 37' ' ' TRP . 62.0 t -103.34 129.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.445 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 2.7 mtm -112.19 154.68 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.8 132.91 55.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.842 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -125.76 131.75 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.1 p30 -132.88 -167.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -37.74 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 23.8 mm -64.87 -77.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.77 -160.76 21.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.476 ' HG3' HG22 ' A' ' 94' ' ' VAL . 23.4 ttpp -95.35 132.14 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.4 p -86.11 176.06 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.31 162.15 51.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -52.04 162.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.699 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.5 mm-40 -36.78 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.07 92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.666 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -47.04 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 170.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.52 98.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.593 ' HE1' HG22 ' A' ' 111' ' ' THR . 1.2 t80 -77.74 118.93 20.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -132.11 103.32 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.593 HG22 ' HE1' ' A' ' 109' ' ' TYR . 68.2 p -63.39 -168.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.44 159.85 15.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 83' ' ' PRO . . . -168.17 -172.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m -83.93 69.66 10.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.77 147.71 0.65 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 63.95 166.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 72.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.524 ' HA ' HD12 ' A' ' 110' ' ' LEU . 23.2 t-20 58.55 107.55 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 t -104.22 -28.69 11.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.37 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -112.31 159.36 13.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.16 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.794 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -120.58 144.84 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 54.1 p -136.52 151.1 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.39 149.2 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 p -110.6 164.53 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.23 136.03 7.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.58 156.14 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.042 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m 66.7 139.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.8 170.77 15.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.51 6.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -127.58 90.14 49.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.25 139.2 91.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.9 p -134.38 109.8 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 97' ' ' ILE . 74.8 m-85 -91.1 -177.45 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.6 m-20 167.59 50.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.7 m 49.98 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -43.99 163.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 145.1 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.437 1.756 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.99 155.61 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -136.87 -177.2 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.73 13.48 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD21 HG23 ' A' ' 91' ' ' VAL . 1.1 mp -41.55 122.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.81 170.57 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.2 mt -133.98 122.13 22.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -150.85 120.2 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.635 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.5 p-10 -142.53 -171.11 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -171.92 43.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.577 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -122.63 -164.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' H ' HD23 ' A' ' 29' ' ' LEU . 9.2 t0 -94.19 -62.97 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.79 67.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.577 ' OG ' HD22 ' A' ' 29' ' ' LEU . 60.5 p -176.49 116.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.635 HG23 ' HB3' ' A' ' 27' ' ' ASP . 8.2 p -118.11 137.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 137.15 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.845 HD22 HD11 ' A' ' 79' ' ' LEU . 52.4 tp -108.8 112.81 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -98.71 120.52 39.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -121.72 163.2 19.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.1 m -123.36 108.72 31.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -59.97 -141.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.92 151.7 34.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -103.96 -16.17 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 3.1 m120 60.42 67.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 67.7 m-80 66.87 -61.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.0 t -72.42 117.32 57.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.0 154.05 42.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.862 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.57 142.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' GLY . 77.2 p -123.45 -33.14 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 1.9 ttpt -146.11 157.37 43.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 47' ' ' ILE . 30.4 m-85 -134.33 108.05 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.7 157.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.2 mp -133.53 136.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.98 160.57 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.24 155.31 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.02 142.63 49.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' LYS . 38.3 t0 -90.14 124.49 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -99.52 -11.41 21.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.424 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 30.6 ttm -93.17 -8.34 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -131.87 -79.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.0 mtmt -119.88 95.41 49.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.49 29.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.76 -23.29 29.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -77.88 100.98 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 87.5 m95 -90.61 134.46 34.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 51' ' ' ILE . 19.6 t-80 -86.33 114.32 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -85.22 -77.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -163.39 159.51 22.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -126.21 161.93 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.732 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -137.57 -175.63 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.91 169.19 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.73 23.67 21.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.98 -35.06 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.732 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -87.08 157.57 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 p -133.09 20.09 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.1 p -145.99 123.54 11.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.26 141.37 46.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.478 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.3 mt-30 -76.49 137.12 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 35' ' ' LEU . 7.4 mt -110.99 123.91 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -86.64 109.69 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 109' ' ' TYR . 9.8 mt -107.07 157.96 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -131.16 159.2 72.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 144.04 29.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.501 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 5.2 m-85 70.25 42.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' CD2' ' A' ' 87' ' ' TYR . 3.1 t -151.03 126.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.609 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 25.1 t30 -117.93 140.51 49.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -179.59 173.17 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -108.14 -178.39 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.726 ' HD2' HD11 ' A' ' 25' ' ' LEU . 23.3 m-85 -129.92 121.59 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.7 ttp180 -109.34 158.31 18.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.81 HG11 ' CG ' ' A' ' 37' ' ' TRP . 57.3 t -137.19 127.23 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.4 mpp? -119.73 158.97 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -127.53 134.1 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.746 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -130.0 133.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.8 p30 -132.58 -167.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -46.13 -44.22 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.2 mm -58.64 -85.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.486 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.96 -155.51 8.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.546 ' CD ' HD13 ' A' ' 51' ' ' ILE . 15.5 ttpp -97.69 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 84.0 p -84.69 163.46 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.22 162.4 0.86 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.531 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.06 140.16 24.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 79.4 p -53.79 157.47 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -41.88 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.01 117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.0 169.25 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.57 152.99 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.468 ' OE1' ' ND2' ' A' ' 86' ' ' ASN . 6.1 mt-30 -79.8 101.51 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE2' HG21 ' A' ' 33' ' ' VAL . 2.3 t80 -77.99 105.22 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.7 OUTLIER -99.64 129.34 45.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.8 p -77.56 -172.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.444 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -75.33 142.31 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.65 -170.69 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 67.2 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.49 136.12 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.11 165.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -75.7 -65.64 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.556 ' HA ' HD12 ' A' ' 110' ' ' LEU . 5.1 t30 -135.04 94.32 16.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.89 33.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 t -153.26 54.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.9 p -42.2 160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.45 155.81 23.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -37.42 2.08 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.29 -74.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.82 148.89 41.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.946 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 68.76 153.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.12 170.75 4.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -165.98 18.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.45 107.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.93 142.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.37 -98.77 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.02 17.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.797 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -68.33 -52.89 19.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.635 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -75.02 140.46 25.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 80.21 141.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 170.59 20.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -94.21 107.99 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 3.3 m-85 -74.07 -170.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 14' ' ' TYR . 14.7 m-20 162.43 146.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 100' ' ' SER . 26.9 m -40.77 160.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.1 Cg_endo -75.05 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 17' ' ' PRO . 5.7 m-20 -39.5 158.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 147.7 34.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -75.05 168.03 25.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -149.84 178.23 9.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.78 18.35 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 91' ' ' VAL . 1.5 mp -46.62 145.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.05 169.13 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.69 HD11 ' HD2' ' A' ' 89' ' ' PHE . 4.1 mt -135.25 113.09 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 ' CG2' ' C ' ' A' ' 25' ' ' LEU . 30.0 p -150.04 129.16 12.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.5 p-10 -145.01 163.21 34.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -136.95 55.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.47 111.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.32 80.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.94 -46.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.37 123.08 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 27' ' ' ASP . 12.3 p -85.78 145.73 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.83 131.62 50.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 79' ' ' LEU . 9.5 tp -103.93 114.21 28.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -99.44 123.43 43.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.7 p90 -125.53 163.33 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -124.15 110.78 28.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.59 -144.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.99 161.81 10.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -111.79 -18.08 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.8 m120 60.31 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 65.7 m-80 67.32 -60.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.4 t -72.58 115.73 42.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.01 157.2 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.712 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -70.72 150.93 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.502 ' H ' HD13 ' A' ' 47' ' ' ILE . 59.8 p -128.96 -36.14 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -145.23 159.74 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 35.5 m-85 -134.26 109.18 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -88.49 157.2 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -131.11 154.4 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 7.3 mt-10 -145.56 164.03 32.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 12.1 p90 -153.85 157.37 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -130.09 137.71 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' LYS . 34.4 t0 -87.94 96.15 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.07 -18.94 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.8 ttm -81.45 -6.55 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -136.48 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 9.6 mtmt -125.34 94.86 42.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.57 20.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.04 -16.57 60.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -83.38 95.29 8.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -88.88 139.63 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 47.2 m80 -125.77 179.14 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.671 ' CE1' HG23 ' A' ' 51' ' ' ILE . 5.4 t-80 -94.8 114.69 26.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.85 -76.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.0 t -161.93 160.13 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.1 164.98 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -141.31 -175.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.58 167.6 21.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.29 18.11 43.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.2 -27.05 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.712 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.3 pt20 -97.63 167.95 10.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p -142.71 14.46 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.3 p -137.86 123.43 19.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.71 143.23 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.5 mt-30 -79.44 133.73 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.575 HD11 HD22 ' A' ' 35' ' ' LEU . 8.6 mt -114.83 117.44 30.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.96 107.68 13.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -99.09 153.03 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.11 160.73 63.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 146.35 32.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.883 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 23.9 m-85 62.35 71.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.83 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.8 p 176.48 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.79 132.26 52.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.83 ' CD1' HG22 ' A' ' 85' ' ' VAL . 3.7 p90 -163.66 170.25 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 m -104.51 -179.03 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.69 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.5 m-85 -133.15 127.13 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HD3' ' CZ3' ' A' ' 64' ' ' TRP . 2.5 ttp180 -108.96 173.85 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 23' ' ' LEU . 49.4 t -153.48 121.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -117.75 149.88 40.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.15 138.16 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.0 t -130.09 130.48 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 57.3 p30 -130.43 -174.61 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -40.05 -47.01 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 14' ' ' TYR . 10.2 mm -58.95 -84.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.74 -157.93 9.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' CD ' HD13 ' A' ' 51' ' ' ILE . 19.7 ttpp -94.58 132.6 39.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 52.0 p -84.11 177.74 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -65.31 160.32 59.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.97 142.22 27.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' GLU . 11.7 p -52.77 154.5 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 17.5 mt-10 -36.15 -80.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 158.84 114.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.501 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.56 167.68 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 152.88 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -79.44 99.84 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -77.58 108.13 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 111' ' ' THR . 1.8 tm? -113.4 118.28 34.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.477 ' N ' HD22 ' A' ' 110' ' ' LEU . 21.3 p -75.17 168.11 20.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -59.36 153.85 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.883 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . 171.1 128.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 t -71.44 73.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.82 115.29 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.06 39.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 176.33 69.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 51.78 58.98 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.423 ' ND2' ' HG ' ' A' ' 110' ' ' LEU . 6.3 m120 -104.1 157.37 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 34.6 p -70.85 137.59 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -105.85 95.1 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 51.57 -158.68 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 84.08 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 t -110.62 -57.94 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.9 p -128.05 110.16 12.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.36 135.83 16.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.061 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.47 145.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.84 134.14 1.65 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.99 168.45 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -141.14 133.83 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.66 -136.09 2.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 100.82 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -138.3 90.09 13.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.26 131.78 94.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.2 Cg_endo -75.04 -166.54 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p -132.03 111.46 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 20.6 m-85 -95.29 -166.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.637 ' O ' ' O ' ' A' ' 16' ' ' VAL . 3.8 m-20 155.6 52.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 ' O ' ' O ' ' A' ' 15' ' ' ASP . 28.8 m 49.72 160.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -74.97 121.66 6.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -43.65 159.69 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -75.0 151.07 39.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.0 170.64 19.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -151.3 -176.15 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.23 20.07 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.6 OUTLIER -42.25 150.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.7 mt-10 -153.41 166.72 31.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 89' ' ' PHE . 3.0 mt -133.15 105.08 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 p -143.05 139.37 30.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.25 -170.15 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 177.36 38.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.0 -75.93 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.27 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.51 55.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.2 p -172.27 96.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.727 HG21 ' HE2' ' A' ' 109' ' ' TYR . 6.6 p -82.18 140.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' CD ' ' HB ' ' A' ' 76' ' ' THR . 0.9 OUTLIER -102.64 131.0 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 79' ' ' LEU . 28.2 tp -100.08 117.49 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.2 p -97.85 124.73 42.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.646 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -127.32 162.27 26.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 63.5 m -122.24 110.94 32.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 109.55 2.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.55 -140.9 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.36 161.66 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.5 m-20 -112.12 -15.64 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 60.07 69.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 44.9 m-80 66.43 -62.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.7 m -71.63 116.83 51.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.98 21.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.864 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -48.74 142.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 19.4 p -122.61 -33.74 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -146.52 158.09 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 33.4 m-85 -134.0 102.73 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -89.05 156.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.0 mt -132.42 160.47 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 35.4 mt-10 -153.12 166.73 31.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -149.97 151.41 33.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -119.21 136.54 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.25 98.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 55' ' ' GLU . . . -88.21 15.36 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 ttm -102.94 -24.28 13.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -134.31 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -114.74 91.86 27.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.02 25.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 97.32 -27.76 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.34 97.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.605 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.1 m95 -84.15 148.48 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.99 161.53 32.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.72 119.39 19.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.64 -76.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 t -167.83 169.83 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 3.0 pp20? -142.66 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.73 -175.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 172.86 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -85.38 16.04 41.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -126.01 -1.74 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.442 ' C ' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.54 164.07 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' THR . 29.6 p -151.88 17.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 1.6 p -155.41 123.72 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.71 145.57 50.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 3.6 mt-30 -78.23 125.99 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -101.85 122.46 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.0 m120 -83.1 109.51 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 87' ' ' TYR . 11.8 mt -105.07 151.03 24.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -124.21 160.0 54.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 141.24 26.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 13.9 m-85 64.25 37.32 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 83' ' ' PRO . 2.8 t -141.81 109.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.242 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.479 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -101.24 145.59 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -179.75 174.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 -177.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.4 m-85 -136.7 121.95 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 8.9 ptt180 -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.646 HG11 ' CG ' ' A' ' 37' ' ' TRP . 53.3 t -103.92 143.47 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 5.8 mtm -126.83 154.28 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -124.0 125.01 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -118.76 134.23 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.9 p30 -132.29 -167.09 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -34.38 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.468 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -67.35 -76.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.32 -158.84 14.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.485 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.8 ttpp -97.65 124.09 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 100.0 p -74.57 175.27 7.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -65.99 158.47 75.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HG3' ' NH1' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.99 142.09 27.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.5 p -46.53 151.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 33.2 mt-10 -34.78 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.58 103.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -54.64 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 163.79 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -84.9 96.68 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.727 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -87.25 108.92 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 119' ' ' ASN . 7.6 tp -108.05 107.09 17.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 81' ' ' LEU . 27.2 p -61.72 171.98 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -113.56 146.22 40.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 84' ' ' TYR . . . -133.39 50.02 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.64 53.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 172.81 127.36 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 164.72 32.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 165.08 137.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 74.99 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.518 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 10.0 m120 59.36 161.47 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.24 3.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.769 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.0 t -42.38 138.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.42 97.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -158.07 151.99 23.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 99.0 p 179.73 162.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 p -60.53 171.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.96 124.52 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.04 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.53 154.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.942 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 127.95 1.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.42 111.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.6 121.27 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -143.9 3.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 p -130.0 90.82 41.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.37 138.94 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.68 22.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.7 p -136.0 86.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CB ' HD11 ' A' ' 97' ' ' ILE . 93.5 m-85 -73.14 -176.66 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.7 m-20 165.79 50.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.628 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.9 m 49.83 161.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 123.44 7.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.92 163.85 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 148.1 34.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 174.46 12.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -151.65 175.32 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.91 16.67 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -50.67 129.85 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.2 152.46 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 35' ' ' LEU . 3.4 mm? -97.65 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.1 p -114.36 116.68 29.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.574 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -139.91 -165.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.61 -53.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.22 139.21 31.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.63 81.69 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 -46.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -129.96 106.5 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 109' ' ' TYR . 10.0 p -89.2 140.88 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.6 125.23 50.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 11.1 tp -91.61 126.13 36.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -107.95 123.42 48.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.723 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.6 p90 -127.53 163.59 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -128.13 108.73 19.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.98 108.82 2.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.61 -143.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -56.43 156.65 5.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.4 m-20 -106.43 -16.43 14.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 2.7 m120 61.69 67.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.552 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 33.9 m120 67.13 -61.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -72.92 117.12 57.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.794 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -55.82 143.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -124.07 -32.72 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -143.07 161.47 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.794 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 10.7 m-85 -137.19 105.75 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mp -88.89 151.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mt -130.23 156.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 69.1 mt-10 -152.93 159.79 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 11.0 p90 -148.33 158.45 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.07 150.57 52.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 58' ' ' MET . 59.1 t0 -98.38 106.66 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.52 -9.51 58.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 7.0 ttm -87.9 -6.92 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 79.3 m80 -139.96 -77.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mtmt -114.44 93.36 31.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 138.2 22.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 98.41 -29.1 12.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.76 113.95 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.2 m95 -102.96 143.88 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -125.83 150.75 47.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.34 104.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.555 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -78.02 -75.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.7 t -172.18 155.76 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.6 pp20? -121.46 168.42 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.789 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -145.9 -175.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 170.31 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.46 28.46 8.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -43.07 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.789 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -76.96 158.31 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -137.37 17.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.3 p -138.83 115.88 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.55 139.7 52.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.607 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -78.43 136.56 37.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 78' ' ' GLN . 13.3 mt -117.7 142.64 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.08 111.87 23.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' A' ' 109' ' ' TYR . 16.6 mt -110.25 158.86 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.84 168.16 17.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.623 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 134.32 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.623 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 10.0 m-85 64.36 65.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -153.38 94.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -86.32 122.89 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -162.28 175.56 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.547 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 50.9 m -115.69 -177.96 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 88' ' ' SER . 40.9 m-85 -150.53 131.8 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -122.78 -179.2 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.819 HG23 HD21 ' A' ' 23' ' ' LEU . 85.7 t -146.42 135.96 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.2 mtm -120.01 153.33 36.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.61 140.27 51.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -136.69 129.21 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 33.9 p30 -132.05 -171.5 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.2 m -39.6 -41.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.0 mm -63.3 -101.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.566 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -147.51 -153.7 6.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.627 ' HE2' HD13 ' A' ' 51' ' ' ILE . 27.7 ttmt -102.06 127.68 48.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 23.5 p -80.63 172.09 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.91 162.48 16.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.49 27.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.487 ' OG ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.14 161.51 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.724 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 3.4 mt-10 -38.46 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.48 100.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.824 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -54.12 164.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 148.77 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.94 103.6 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.737 ' CE2' HG21 ' A' ' 33' ' ' VAL . 1.6 t80 -76.98 133.6 39.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 119' ' ' ASN . 1.9 mt -132.72 119.2 20.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.0 p -70.75 -170.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -74.29 126.55 30.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.617 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -133.4 -166.73 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.7 59.38 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 175.02 147.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t0 61.45 116.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -118.79 101.71 50.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 122' ' ' SER . 18.5 Cg_endo -74.98 -179.84 5.37 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 99.2 m 63.47 -77.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.448 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -113.83 90.61 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -130.68 -155.75 8.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 39.63 82.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p -176.07 92.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.6 -57.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p -84.5 163.79 19.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.23 125.1 4.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -168.55 112.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -172.33 139.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.9 -69.28 0.2 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.794 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 104.2 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.457 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -64.08 -54.16 42.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.98 -64.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -40.75 138.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -167.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t -151.65 137.49 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CB ' HD11 ' A' ' 97' ' ' ILE . 22.4 m-85 -112.17 -172.61 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 165.9 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 15' ' ' ASP . 31.0 m 49.99 161.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.98 122.34 7.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.72 163.74 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 150.64 38.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 168.69 24.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.92 176.52 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER 67.27 10.17 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -39.71 131.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.39 156.13 31.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.4 mt -110.92 111.54 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -135.28 111.94 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.583 ' CG ' HG23 ' A' ' 33' ' ' VAL . 1.9 p-10 -148.52 -160.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -146.29 8.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER 67.88 14.73 9.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -177.28 33.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 5.2 t 144.31 -107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.766 HG21 ' HE2' ' A' ' 109' ' ' TYR . 1.3 p -166.36 177.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' H ' HG22 ' A' ' 33' ' ' VAL . 6.0 tt0 -143.66 133.93 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 79' ' ' LEU . 55.3 tp -104.6 123.0 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -107.27 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CG ' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -121.64 163.06 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 9.4 m -129.3 112.76 18.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.04 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.68 -140.0 0.35 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 149.35 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.8 m-20 -103.0 -17.18 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.1 m120 60.63 69.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 25.3 m-80 66.0 -62.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.6 t -71.92 116.91 53.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.04 150.81 38.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -62.51 142.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' GLY . 61.2 p -124.43 -33.45 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -144.22 156.38 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.894 ' CE2' HG21 ' A' ' 47' ' ' ILE . 27.9 m-85 -134.82 103.67 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.825 HD12 HG21 ' A' ' 94' ' ' VAL . 3.6 mt -88.6 154.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mp -131.71 154.81 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -148.52 170.99 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -154.19 160.25 41.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.81 137.38 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' LYS . 48.1 t0 -87.31 96.04 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -77.25 -17.14 58.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 36.0 ttm -77.57 -14.37 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 65.3 m80 -130.19 -70.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -125.59 97.14 36.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 134.73 18.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.13 -23.19 35.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.83 99.81 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 73.0 m95 -86.82 144.81 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -131.73 153.88 49.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.46 122.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -98.71 -76.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -168.82 162.61 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -129.22 163.82 24.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.93 -176.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.72 170.43 14.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.12 33.57 4.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 -45.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.505 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.4 pt20 -77.72 143.52 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 p -119.74 14.86 12.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.6 p -135.78 130.17 33.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.68 137.99 32.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.503 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -69.23 128.75 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.889 HD11 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -105.28 113.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.483 ' C ' HD23 ' A' ' 81' ' ' LEU . 5.3 m-80 -75.71 108.54 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 80' ' ' ASN . 9.2 mt -105.65 156.38 18.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.454 ' O ' HG21 ' A' ' 111' ' ' THR . 0.5 OUTLIER -128.77 160.75 61.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 143.67 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 18.7 m-85 62.87 76.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.841 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.4 p 176.48 116.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -106.1 136.55 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.841 ' CD1' HG22 ' A' ' 85' ' ' VAL . 5.3 p90 -167.71 175.45 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.417 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 2.8 p -111.34 -178.82 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' HD2' HD11 ' A' ' 25' ' ' LEU . 40.2 m-85 -135.25 121.88 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -119.8 138.84 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG11 ' CG ' ' A' ' 37' ' ' TRP . 99.6 t -111.45 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.43 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.0 mtm -130.33 153.28 48.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.77 128.32 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 HD12 ' A' ' 51' ' ' ILE . 2.8 t -123.55 130.73 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 54.9 p30 -132.25 -167.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.03 -44.19 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.6 mm -59.06 -86.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.38 -155.89 8.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 94' ' ' VAL . 11.5 ttmt -98.62 127.36 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.2 p -78.14 179.01 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 162.18 58.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 146.23 32.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' GLU . 25.0 p -56.22 153.87 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.69 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -36.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.97 106.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.95 170.15 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.468 ' OE1' ' ND2' ' A' ' 119' ' ' ASN . 5.9 mt-30 -92.48 97.61 10.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -81.81 108.61 15.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -101.31 104.96 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 82' ' ' SER . 61.1 p -57.1 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.98 157.33 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -175.58 -157.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.48 42.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 0.0 OUTLIER 172.57 136.02 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 115' ' ' GLU . 18.3 Cg_endo -75.02 -91.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.61 -172.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.64 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.611 ' HA ' HD12 ' A' ' 110' ' ' LEU . 6.4 t30 -117.57 80.34 13.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 152.85 41.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 t -168.63 127.64 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.6 p -85.31 107.12 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -152.7 -159.79 9.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.78 30.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 m -139.89 110.86 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.7 t -39.44 145.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.073 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.83 128.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.26 167.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.26 143.64 5.55 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -128.67 149.24 50.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -49.33 164.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.22 102.58 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.98 127.54 10.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.3 t -175.38 124.06 0.35 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -75.01 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -169.21 137.26 1.58 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.0 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.61 85.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CB ' HD11 ' A' ' 97' ' ' ILE . 96.0 m-85 -72.36 -173.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.5 m-20 163.8 51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.6 m 50.29 161.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.98 120.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -43.14 163.27 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 147.45 33.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.0 171.15 18.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.93 174.58 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 106' ' ' SER . 2.5 mp -50.55 132.45 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 149.1 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 35' ' ' LEU . 3.9 mm? -100.8 110.0 22.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -125.35 115.66 20.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.613 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-10 -146.01 167.85 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -136.03 19.41 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.34 -167.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -122.94 -40.08 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -37.87 -57.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -148.37 178.52 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG23 ' HB3' ' A' ' 27' ' ' ASP . 12.2 p -125.26 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -86.68 127.12 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 79' ' ' LEU . 10.1 tp -99.39 114.49 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -96.17 126.46 41.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.708 ' HB3' HG21 ' A' ' 91' ' ' VAL . 37.5 p90 -129.41 161.22 30.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 108.04 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 22.2 m -126.42 109.1 23.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.443 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.93 108.27 2.67 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.18 -144.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.3 154.84 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.46 -16.08 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 2.7 m120 60.58 67.01 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 34.9 m120 67.87 -60.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.491 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.4 m -72.81 116.33 49.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.1 33.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.802 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -60.32 143.21 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLY . 47.9 p -125.06 -32.46 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -142.1 159.04 43.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.802 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 9.7 m-85 -135.4 106.76 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.25 155.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mt -131.7 158.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -154.37 159.18 41.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . 12.3 p90 -145.91 159.86 42.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -135.63 150.18 49.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -99.75 107.01 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -15.57 56.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ttp -85.96 -16.64 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -120.25 -74.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -128.12 98.14 27.51 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.19 17.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.74 -23.53 32.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.34 115.64 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.603 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 66.6 m95 -104.46 138.67 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -121.63 147.93 45.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -64.82 108.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -85.61 -76.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 159.44 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.5 pp20? -124.91 166.52 16.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.622 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.1 -179.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.57 171.95 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -92.29 15.34 62.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 -22.92 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.622 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -98.38 170.2 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -149.02 19.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -148.51 125.72 11.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.64 145.72 43.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 38.4 mt-30 -74.99 142.48 43.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 HD22 ' A' ' 35' ' ' LEU . 13.6 mt -119.58 134.8 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' C ' HD23 ' A' ' 81' ' ' LEU . 2.8 m120 -89.87 108.49 19.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.928 HD12 ' CE1' ' A' ' 109' ' ' TYR . 8.4 mt -106.76 143.67 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.31 157.56 43.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.95 140.1 25.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 113' ' ' ALA . 17.5 m-85 65.3 72.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.5 p 177.25 109.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -93.09 138.62 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -167.68 168.12 12.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -109.76 -178.7 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 41.7 m-85 -149.48 128.88 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.0 ptt180 -123.2 175.99 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.708 HG21 ' HB3' ' A' ' 37' ' ' TRP . 91.7 t -137.54 143.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 91' ' ' VAL . 4.0 mpp? -127.43 152.44 47.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.658 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.7 140.86 51.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.9 t -135.97 129.32 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.491 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.1 p30 -127.23 -168.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.11 -41.39 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.686 HD11 ' CB ' ' A' ' 14' ' ' TYR . 2.7 mm -59.74 -83.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -164.46 -154.89 8.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.629 ' HG3' HG22 ' A' ' 94' ' ' VAL . 19.4 ttmt -99.98 134.69 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 85.6 p -84.48 176.63 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -65.46 160.1 62.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 p -45.78 150.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 26.6 mt-10 -38.96 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.39 118.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.688 ' HB3' HD23 ' A' ' 23' ' ' LEU . 7.9 p -67.15 162.01 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.36 153.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -74.46 96.03 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.5 t80 -92.06 111.68 23.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 111' ' ' THR . 5.9 tp -113.13 133.97 54.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.734 ' N ' HD12 ' A' ' 110' ' ' LEU . 75.3 p -77.39 179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -71.13 154.81 41.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.604 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -170.59 68.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.44 44.7 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -174.22 132.52 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 117' ' ' ASP . 18.2 Cg_endo -74.99 -169.24 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 116' ' ' PRO . 2.0 t70 76.26 148.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -106.08 78.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t30 68.92 132.51 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.27 42.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 m -109.07 138.1 45.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.89 153.4 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.81 154.19 25.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.3 p -132.22 133.7 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 t -86.14 -61.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.33 161.84 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.22 126.27 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.9 163.04 34.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -115.48 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.46 98.9 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.25 -129.29 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.2 Cg_endo -75.03 126.49 9.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.0 t -175.61 124.14 0.34 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.17 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.18 138.64 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -75.01 -165.86 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.433 1.754 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p -135.4 112.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 29.0 m-85 -97.17 -165.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.4 m-20 157.44 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 33.6 m 49.66 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.07 120.82 6.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -44.59 163.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.97 144.38 30.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.04 171.66 17.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.81 175.79 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.01 14.88 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.004 HD21 HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -50.58 130.12 23.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 151.62 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.784 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? -100.5 111.83 24.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -129.86 114.39 15.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 1.4 p-10 -144.4 148.79 35.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -153.41 46.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -119.09 -76.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m-20 152.47 -49.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -39.53 -63.92 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.32 -169.84 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 9.2 p -104.03 158.37 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.619 ' OE1' HG22 ' A' ' 76' ' ' THR . 0.1 OUTLIER -120.06 128.47 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.7 tp -90.98 118.06 30.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.683 ' CG ' HG11 ' A' ' 91' ' ' VAL . 28.5 p90 -134.28 160.99 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.7 m -127.36 112.04 21.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.29 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.09 -139.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.83 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -17.43 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.0 m120 60.69 68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 41.7 m-80 66.03 -61.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.2 m -71.71 116.46 48.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.22 28.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.806 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.87 142.96 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLY . 40.5 p -122.85 -33.63 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.7 160.14 41.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 17.0 m-85 -134.46 107.26 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.68 153.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 ' CH2' ' A' ' 37' ' ' TRP . 3.7 mt -133.1 155.03 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 11.8 mt-10 -150.63 171.11 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -158.49 160.21 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -134.84 147.59 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -91.5 93.84 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.96 -3.7 40.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 25.7 ttm -95.95 -4.56 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 41.5 m80 -140.6 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.77 91.68 28.86 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 122.82 7.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.75 -21.76 13.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.62 101.48 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 74.4 m95 -92.64 139.85 30.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -128.63 140.12 51.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 123.2 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -97.94 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -171.52 152.8 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 pp20? -121.81 161.58 22.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.75 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.16 -175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 169.66 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.57 22.71 26.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.23 -34.29 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.75 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.5 pt20 -89.72 160.12 16.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -139.45 22.68 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.619 HG22 ' OE1' ' A' ' 34' ' ' GLN . 8.1 p -145.13 118.0 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.27 137.83 52.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.566 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.9 tt0 -70.28 137.1 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 78' ' ' GLN . 7.7 mt -115.4 125.03 52.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.558 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -87.82 107.83 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.925 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -103.52 161.23 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 163.33 48.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.589 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 145.18 31.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 1.173 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 20.7 m-85 62.32 73.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.854 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.6 p 175.79 112.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -105.5 133.05 50.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.854 ' CD1' HG22 ' A' ' 85' ' ' VAL . 4.7 p90 -165.17 164.04 20.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 m -103.95 -177.78 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.784 ' HD2' HD21 ' A' ' 25' ' ' LEU . 29.7 m-85 -137.2 128.38 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.571 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -121.22 144.44 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 1.004 HG23 HD21 ' A' ' 23' ' ' LEU . 98.2 t -117.27 144.52 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.9 mpp? -130.24 154.66 47.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -123.04 140.55 52.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.7 t -134.76 133.95 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.6 p30 -131.79 -169.82 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -50.32 -37.74 38.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.423 ' HB ' ' OD1' ' A' ' 95' ' ' ASN . 6.9 mm -63.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.94 -159.26 11.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.56 ' CD ' HD13 ' A' ' 51' ' ' ILE . 20.6 ttpp -97.09 143.29 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 88.3 p -96.27 164.97 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.86 163.34 1.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.46 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.95 135.42 19.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 79.0 p -43.78 159.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.736 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 31.9 mt-10 -37.9 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.08 90.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.633 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 156.47 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.41 95.99 5.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.925 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.1 t80 -79.82 130.8 35.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' A' ' 86' ' ' ASN . 30.4 tp -132.48 134.96 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.4 p -87.06 173.1 9.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -76.82 128.79 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 1.173 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -145.49 68.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.59 37.9 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -170.18 132.09 0.99 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.56 172.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.15 85.26 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.454 ' HA ' HD23 ' A' ' 110' ' ' LEU . 15.0 t-20 59.48 101.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.8 p -78.81 88.27 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m -90.55 118.01 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.4 158.23 1.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 121.84 6.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -127.3 121.6 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.048 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.3 p -49.72 112.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -170.79 164.82 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 p -175.26 173.94 2.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.38 121.98 0.62 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.21 130.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.051 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.23 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.78 155.1 31.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.71 13.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -57.71 -53.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.67 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.98 148.21 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 82.39 136.34 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.05 -170.25 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG2' ' C ' ' A' ' 12' ' ' PRO . 2.0 t -151.93 136.33 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CB ' HD11 ' A' ' 97' ' ' ILE . 21.1 m-85 -117.64 -172.58 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.625 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.8 m-20 164.23 52.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.625 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.2 m 49.79 162.57 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.07 121.27 6.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -43.94 164.56 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.01 170.08 21.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.95 179.32 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.65 14.78 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -48.25 133.11 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 149.17 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.5 mm? -101.27 123.29 45.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -142.34 116.58 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 33' ' ' VAL . 3.1 p-10 -143.92 155.45 44.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -117.88 -3.12 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 147.56 38.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.13 81.93 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.61 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -134.59 115.35 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p -82.08 143.17 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.73 131.51 43.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' HA ' HD13 ' A' ' 25' ' ' LEU . 9.2 tp -100.58 113.96 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 m -97.29 117.35 31.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CG ' HG11 ' A' ' 91' ' ' VAL . 46.0 p90 -120.87 162.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 107.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 47.0 m -126.87 112.08 22.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 106.44 2.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.71 -145.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.082 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 153.73 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.1 m-20 -105.24 -17.4 14.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.538 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.1 m120 60.47 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 5.4 m120 66.66 -61.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.3 t -72.48 117.19 56.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.22 43.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.792 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -69.14 145.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLY . 69.0 p -125.49 -34.28 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -142.23 158.81 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.792 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 12.0 m-85 -134.02 107.36 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.95 154.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.9 mt -131.58 154.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -148.12 169.83 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' SER . 9.1 p90 -158.2 159.04 35.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -136.98 150.91 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.3 t0 -99.34 103.96 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -73.79 -28.0 61.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.0 ttm -75.46 -13.5 60.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.407 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 21.9 m80 -119.97 -67.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mmmt -139.28 97.07 8.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.69 2.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.54 -23.2 4.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.65 108.32 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 64.4 m95 -99.09 140.9 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -125.71 152.55 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.6 116.15 6.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.08 -76.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -168.86 159.34 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.88 163.29 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.764 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -139.39 -175.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.82 168.85 17.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.3 23.31 19.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -38.19 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.764 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.6 pt20 -85.68 158.55 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 p -136.16 19.09 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.0 p -142.98 128.73 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.45 149.76 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.3 mt-30 -79.35 141.0 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 78' ' ' GLN . 10.5 mt -117.52 125.31 50.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' HD23 ' A' ' 81' ' ' LEU . 15.8 p-10 -79.27 108.68 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 109' ' ' TYR . 13.0 mt -108.35 147.02 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.44 160.97 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.94 137.18 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.879 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 12.2 m-85 64.91 79.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.801 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.4 p 173.43 103.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 110' ' ' LEU . 15.7 t30 -86.79 147.9 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.801 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -177.61 171.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -112.3 -178.86 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 42.2 m-85 -148.03 125.25 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.4 ptt180 -118.96 -177.84 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.84 HG11 ' CG ' ' A' ' 37' ' ' TRP . 89.0 t -144.58 145.28 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.8 mpp? -129.51 154.27 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.58 141.5 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -137.73 130.87 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 48.4 p30 -132.92 -171.33 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.4 m -42.01 -50.0 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.3 mm -52.27 -91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -157.73 -155.96 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.653 ' HG3' HG22 ' A' ' 94' ' ' VAL . 26.9 ttmt -100.16 133.67 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.3 p -84.62 175.22 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.53 162.25 58.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 136.13 19.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -50.34 158.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 2.0 mt-10 -42.29 -77.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.39 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.745 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.72 163.46 9.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.46 150.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.54 96.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.8 t80 -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 119' ' ' ASN . 0.9 OUTLIER -122.17 125.98 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.559 HG22 ' HE1' ' A' ' 109' ' ' TYR . 61.7 p -71.15 -176.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -78.97 160.07 27.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.879 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -178.12 125.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.8 82.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.34 150.0 0.98 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 117' ' ' ASP . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.763 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' PRO . 6.3 m-20 47.25 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -67.66 -82.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.675 ' HA ' HD13 ' A' ' 110' ' ' LEU . 0.6 OUTLIER 34.0 75.13 0.47 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.4 9.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.7 m 63.0 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.92 161.46 35.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.35 161.31 13.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.15 4.81 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.71 117.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.01 114.57 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t 64.26 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 110.047 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.5 m 70.71 157.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.58 -179.84 43.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.79 136.09 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -46.72 153.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.33 176.32 19.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.73 81.53 13.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -75.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -63.12 139.99 97.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 167.08 27.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.48 84.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 97' ' ' ILE . 60.0 m-85 -72.83 -171.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 16' ' ' VAL . 10.3 m-20 164.59 51.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.85 162.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.97 125.18 9.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -48.05 162.85 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.02 148.53 35.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.98 176.0 10.48 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -151.75 177.64 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.97 28.66 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -62.53 131.45 49.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.8 147.81 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.769 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? -97.97 127.63 44.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 25' ' ' LEU . 73.9 p -150.4 118.98 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.362 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' CG ' HG23 ' A' ' 33' ' ' VAL . 18.3 p-10 -144.37 153.5 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -115.96 17.32 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.2 141.86 44.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.59 81.6 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 100.02 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.483 HG22 ' H ' ' A' ' 34' ' ' GLN . 7.1 p -57.62 169.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -123.54 136.34 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.683 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 tp -104.92 112.99 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -96.12 125.51 40.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.5 p90 -133.44 162.44 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 97.3 m -130.15 113.62 17.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 120.67 6.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -138.81 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.78 156.14 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -106.38 -15.61 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 3.0 m120 60.7 67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 69.1 m-80 67.7 -60.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.3 m -73.28 117.39 59.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.9 23.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.825 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -52.8 142.71 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 20.6 p -123.22 -33.26 3.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -145.4 161.87 38.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 47' ' ' ILE . 29.6 m-85 -137.68 103.51 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.831 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.19 157.37 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.446 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.1 mt -129.45 160.36 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 20.9 mt-10 -152.51 157.59 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -146.13 162.36 38.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -137.4 146.76 44.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -94.87 95.95 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.79 -22.94 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 4.1 ttp -80.45 -10.63 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -129.83 -71.37 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -121.71 91.78 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.81 8.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.67 -24.24 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -78.72 110.2 13.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 86.1 m95 -101.38 133.29 46.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' HD22 ' A' ' 63' ' ' LEU . 21.4 m-70 -122.58 147.42 46.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.638 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -60.3 132.1 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.68 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -173.16 156.11 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.9 pt-20 -128.07 162.0 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.36 -175.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 169.3 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.38 23.39 19.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.11 -38.06 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.761 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.6 pt20 -85.81 166.26 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -143.44 18.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.7 p -138.3 120.24 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.25 147.32 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -79.08 134.34 36.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 78' ' ' GLN . 7.3 mt -109.64 127.92 54.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.4 m-20 -88.53 109.53 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 109' ' ' TYR . 10.3 mt -105.86 147.53 28.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.63 159.91 48.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.595 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 139.43 24.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.796 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.602 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 12.7 m-85 64.3 72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.771 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.3 p 177.47 118.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.427 ' CB ' ' HG ' ' A' ' 110' ' ' LEU . 53.8 t30 -103.81 146.45 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.771 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -176.18 165.75 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -108.59 -179.09 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' HD2' HD21 ' A' ' 25' ' ' LEU . 21.1 m-85 -134.88 122.42 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -118.7 129.42 55.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.836 HG23 HD21 ' A' ' 23' ' ' LEU . 66.1 t -100.81 141.62 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.7 mtm -124.93 154.52 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.0 135.33 55.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.831 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.64 131.81 66.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 54.8 p30 -132.63 -167.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.36 49.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.657 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.4 mm -60.65 -80.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.79 -159.32 14.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.6 ttpp -94.05 134.43 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.4 p -87.67 177.72 6.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.22 162.37 61.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.03 142.59 27.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 17.2 p -50.34 161.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.679 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -35.68 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.24 89.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.58 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -47.16 161.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 146.54 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -70.78 96.07 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -79.84 115.26 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -124.73 114.82 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.9 p -65.3 -173.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.96 161.61 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.602 ' HB1' ' CZ ' ' A' ' 84' ' ' TYR . . . -172.45 77.58 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.59 68.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -173.91 143.87 0.98 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.64 95.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -93.99 65.08 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.5 t30 65.84 125.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.94 24.81 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 121' ' ' THR . 15.1 t -162.49 60.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.63 92.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.92 -151.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.9 t 53.22 88.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p 45.27 84.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -171.77 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p 57.88 160.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 175.23 17.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m -66.27 167.74 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -140.46 -70.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.86 -133.83 34.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.15 17.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 9' ' ' THR . 6.3 t -142.78 58.26 6.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.47 134.98 5.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -168.11 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.3 t -147.2 135.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CB ' HD11 ' A' ' 97' ' ' ILE . 25.5 m-85 -116.87 -174.36 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 164.32 50.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.8 m 49.49 162.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 118.46 5.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -42.35 164.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.5 33.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 91' ' ' VAL . 18.4 Cg_endo -75.03 168.61 24.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -151.15 177.87 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.07 30.44 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 106' ' ' SER . 2.2 mp -60.28 131.94 52.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -158.85 148.47 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.0 mm? -103.05 135.48 44.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -150.8 113.64 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -147.0 169.26 19.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -121.34 -40.7 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.35 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.5 81.24 8.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 106.79 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 10.0 p -84.26 159.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -115.85 134.64 54.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.0 tp -107.75 112.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -97.68 116.55 30.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.677 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.2 p90 -116.8 162.96 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 98.3 m -126.32 107.28 24.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.349 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -75.08 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.41 -144.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.0 158.66 6.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -109.23 -16.09 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.4 m120 59.96 68.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.0 m-80 66.53 -62.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' ASN . 41.0 t -72.01 116.11 45.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -74.97 156.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.839 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -70.55 145.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.0 p -125.33 -32.9 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 1.5 ttpt -144.39 157.31 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.839 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.6 m-85 -134.67 107.33 7.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.809 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -87.77 151.39 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.1 mp -125.16 153.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -148.55 162.38 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -148.62 159.57 43.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.14 133.16 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.98 92.66 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -69.61 -26.55 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 ttm -73.73 -26.97 60.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -108.15 -69.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -136.42 101.69 9.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.01 136.31 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.13 -22.86 37.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' HE3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -80.3 106.99 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 62.3 m95 -94.7 136.46 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CE1' HD22 ' A' ' 63' ' ' LEU . 26.3 m-70 -126.28 150.67 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -64.34 125.84 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.64 -75.21 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -164.65 163.48 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.3 pp20? -130.97 164.43 25.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.524 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.64 -175.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.38 170.06 15.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.92 32.67 4.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.83 -43.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.524 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.1 pt20 -79.15 143.0 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -119.2 16.17 13.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.0 p -139.41 129.92 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -139.64 150.46 44.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.531 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.7 mt-30 -82.26 134.77 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 78' ' ' GLN . 8.6 mt -113.41 136.02 53.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.33 109.83 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.672 ' HB3' HG21 ' A' ' 111' ' ' THR . 27.9 mt -107.06 159.72 16.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.51 161.22 64.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.04 141.64 26.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 16.0 m-85 63.81 74.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.2 p -179.47 123.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.575 ' ND2' ' HB3' ' A' ' 57' ' ' ALA . 44.6 t30 -106.38 147.08 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.768 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.4 OUTLIER 179.03 -179.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -178.37 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.664 ' HD2' HD21 ' A' ' 25' ' ' LEU . 26.2 m-85 -130.87 121.34 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 2.5 ttp180 -109.22 158.82 17.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 37' ' ' TRP . 76.4 t -137.33 135.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -125.3 153.0 43.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.08 137.8 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.809 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -133.14 128.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 56.4 p30 -132.82 -169.34 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -46.6 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.535 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.6 mm -56.64 -87.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -161.09 -154.56 7.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.666 ' HG3' HG22 ' A' ' 94' ' ' VAL . 7.5 ttmt -102.69 119.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 47.9 p -69.38 178.03 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -69.77 161.93 71.3 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 144.54 30.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 p -55.25 157.81 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 24.5 mt-10 -39.32 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.12 115.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.601 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.4 t -56.28 165.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 155.01 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -78.31 96.73 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 110' ' ' LEU . 1.3 t80 -105.42 122.25 45.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.888 HD22 ' HA ' ' A' ' 119' ' ' ASN . 29.1 tp -98.26 157.64 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.672 HG21 ' HB3' ' A' ' 81' ' ' LEU . 61.6 p -124.19 135.17 53.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.723 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 0.4 OUTLIER 38.04 -145.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . 86.49 151.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.66 74.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.47 113.08 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 117' ' ' ASP . 18.3 Cg_endo -74.98 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 116' ' ' PRO . 9.0 t0 79.92 15.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER 43.08 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.888 ' HA ' HD22 ' A' ' 110' ' ' LEU . 7.3 t30 60.93 121.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -164.8 171.66 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.94 106.95 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -144.01 -160.19 8.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.2 t -164.49 130.8 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 t -148.98 137.27 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -177.25 138.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.33 166.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.67 -95.48 1.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t 66.6 -75.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 62.36 111.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.1 140.09 15.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 150.33 37.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -61.09 -54.05 57.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.1 Cg_endo -75.06 156.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 0.0 110.96 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.29 143.52 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -74.99 -169.65 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.7 p -130.6 117.75 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CB ' HD11 ' A' ' 97' ' ' ILE . 33.2 m-85 -102.69 -169.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.2 m-20 159.18 52.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.0 m 49.62 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -75.0 122.72 7.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -44.76 163.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.03 147.21 33.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 175.51 11.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 32.5 p90 -151.51 176.68 11.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 25.22 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -58.9 134.15 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' C ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -161.46 154.87 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 107' ' ' GLU . 1.9 mm? -106.85 132.83 52.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 25' ' ' LEU . 22.5 p -152.44 115.92 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.21 -173.91 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -131.86 -44.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.9 120.0 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.41 90.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.47 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 87.82 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.805 ' CG1' HD11 ' A' ' 81' ' ' LEU . 12.0 p -67.57 150.76 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -106.02 128.11 53.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 89' ' ' PHE . 41.7 tp -106.23 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -97.23 119.09 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.783 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -122.21 163.95 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.2 m -125.86 110.76 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.02 117.09 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.82 -139.84 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -58.37 155.4 11.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -107.43 -16.29 14.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.5 m120 59.45 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 35.0 m-80 66.65 -61.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 m -71.21 114.35 26.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 141.33 26.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.01 142.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' A' ' 48' ' ' THR . 37.6 p -122.86 -33.56 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -145.62 160.4 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.818 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.9 m-85 -136.16 103.71 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.759 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -88.72 152.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 91' ' ' VAL . 2.8 mp -130.54 161.0 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 23.8 mt-10 -155.83 153.06 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -137.81 159.42 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.31 143.32 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -88.77 99.21 12.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.93 -19.96 50.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 58' ' ' MET . 36.4 ttm -78.38 -5.55 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -135.64 -69.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HE3' HD22 ' A' ' 63' ' ' LEU . 7.4 mtmt -128.41 93.17 39.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.53 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.2 -3.78 6.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD22 ' HE3' ' A' ' 60' ' ' LYS . 11.7 tp -98.45 100.85 12.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 33.6 m95 -93.19 140.58 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -128.76 142.85 50.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.89 110.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.896 ' HG2' HD12 ' A' ' 79' ' ' LEU . 3.4 tp60 -86.63 -78.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -170.42 154.5 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 pt-20 -127.3 159.76 33.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.792 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.75 -175.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -179.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -100.87 18.85 54.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -30.3 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.792 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -87.47 171.53 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 p -146.16 16.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 3.7 p -140.49 127.15 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -136.35 163.61 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.599 ' O ' HD13 ' A' ' 79' ' ' LEU . 6.7 mt-30 -104.65 148.76 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.896 HD12 ' HG2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -124.5 119.62 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.62 106.57 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -128.28 163.67 24.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.9 168.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.04 151.3 39.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.691 ' CZ ' ' HB3' ' A' ' 113' ' ' ALA . 40.1 m-85 59.31 56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.748 HG12 ' CE2' ' A' ' 87' ' ' TYR . 99.2 t -157.5 111.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.596 HD21 ' HG ' ' A' ' 110' ' ' LEU . 3.8 t-20 -88.27 161.45 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.748 ' CE2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 169.5 168.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.447 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.4 p -107.6 -178.9 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD22 ' A' ' 35' ' ' LEU . 96.4 m-85 -143.75 122.87 12.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.9 ptt180 -118.2 132.19 56.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 23' ' ' LEU . 93.0 t -103.28 146.97 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.4 mtm -131.72 151.69 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.89 135.95 54.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.759 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.28 131.18 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.4 p30 -132.65 -167.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.79 -41.98 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -60.49 -85.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -160.24 -153.39 6.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.691 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttmt -105.5 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 81.3 p -64.19 -177.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.02 161.01 77.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.94 139.24 24.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.444 ' OG ' HD22 ' A' ' 23' ' ' LEU . 83.6 p -45.05 152.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 63.0 mt-10 -35.02 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.61 96.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.746 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.6 t -44.9 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.81 173.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.17 96.21 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 59.3 t80 -92.34 125.95 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.4 OUTLIER -121.77 115.12 22.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.4 p -50.89 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -132.36 145.31 51.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.691 ' HB3' ' CZ ' ' A' ' 84' ' ' TYR . . . -145.61 69.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.16 55.33 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 173.18 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.23 118.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 66.21 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.64 ' HA ' HD12 ' A' ' 110' ' ' LEU . 8.8 t-20 44.64 81.72 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.03 122.73 7.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.3 t -141.95 154.1 44.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -103.01 95.88 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.11 -155.34 26.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -178.45 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.78 164.64 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.52 80.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -163.76 132.96 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 0.788 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.32 161.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.79 111.92 0.32 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.47 115.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.99 156.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 -144.63 4.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 80.27 2.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -139.15 91.47 11.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.424 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.97 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . 176.71 138.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -75.0 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -136.88 86.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.652 ' CB ' HD11 ' A' ' 97' ' ' ILE . 98.3 m-85 -73.39 -179.76 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 16' ' ' VAL . 4.6 m-20 168.47 49.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 15' ' ' ASP . 29.5 m 50.03 162.24 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -49.35 164.15 0.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.63 34.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 171.7 17.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -151.96 174.76 13.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.73 23.93 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 106' ' ' SER . 1.5 mp -59.82 133.8 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.2 mt-10 -161.72 152.18 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 35' ' ' LEU . 2.5 mm? -106.53 134.12 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 p -148.96 111.92 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.62 177.12 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.06 18.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.28 103.72 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -56.6 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.79 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -131.93 97.5 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.873 HG12 HD21 ' A' ' 81' ' ' LEU . 9.9 p -84.05 134.34 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.57 130.51 35.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 25' ' ' LEU . 28.3 tp -109.27 111.2 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -100.01 117.09 33.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.639 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.3 p90 -122.63 163.33 20.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 52.0 m -129.28 111.62 18.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.39 -141.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -59.05 157.84 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.63 -17.05 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.4 m120 60.6 66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.576 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 35.7 m120 68.04 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.496 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 32.2 m -72.11 113.88 24.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.22 32.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.66 142.12 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLY . 30.2 p -126.3 -32.11 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -138.69 158.86 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 5.2 m-85 -137.68 104.72 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.78 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mp -88.85 155.66 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.434 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.8 mt -132.53 158.18 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 27.2 mt-10 -155.85 140.3 16.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' SER . 5.9 p90 -129.64 158.89 38.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.83 155.9 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -100.91 89.32 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.18 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.517 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 tpp -79.97 -25.68 40.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -117.37 -70.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -115.58 91.14 28.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 120.98 -18.68 8.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -81.76 106.36 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 37.6 m95 -98.33 144.58 27.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -130.48 135.33 47.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.642 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -52.7 104.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.596 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -79.63 -72.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -171.84 164.49 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -126.71 173.03 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.769 HG11 ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -147.93 -176.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.68 25.73 10.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.33 -38.35 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.769 ' OE1' HG11 ' A' ' 70' ' ' VAL . 1.4 pt20 -83.11 164.72 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 p -142.06 15.24 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 p -139.59 127.5 22.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.37 149.51 44.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.2 mt-30 -88.23 131.41 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -107.62 139.78 41.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 1.049 ' C ' HD13 ' A' ' 81' ' ' LEU . 7.8 p-10 -106.31 112.73 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -128.58 162.46 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.3 158.47 32.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.443 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.99 161.16 39.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.631 ' O ' HG23 ' A' ' 85' ' ' VAL . 14.8 m-85 57.87 46.15 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.845 HG12 ' CD2' ' A' ' 87' ' ' TYR . 55.9 t -159.21 132.38 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.509 ' C ' ' CD2' ' A' ' 87' ' ' TYR . 6.9 t-20 -101.71 152.15 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.845 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -176.49 165.99 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.5 p -114.05 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 88' ' ' SER . 25.3 m-85 -148.75 130.76 15.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.62 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -127.12 147.66 50.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' CG ' ' A' ' 37' ' ' TRP . 46.7 t -117.03 132.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.404 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.6 mtm -115.39 152.75 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.5 139.88 51.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.78 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -138.97 130.02 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 40.0 p30 -133.0 -172.14 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -37.89 -49.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.652 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.2 mm -54.86 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -155.8 -156.48 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 15.7 ttpp -99.66 134.24 42.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.2 p -85.19 -176.04 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.47 160.91 78.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 143.16 28.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLU . 26.9 p -52.09 154.74 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 39.8 mt-10 -35.42 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.07 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.872 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.1 p -42.66 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 153.57 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -72.4 96.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.659 ' CE2' HG21 ' A' ' 33' ' ' VAL . 58.3 t80 -95.09 117.29 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 85' ' ' VAL . 7.8 tp -115.9 111.83 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.407 HG23 ' OH ' ' A' ' 87' ' ' TYR . 36.5 p -54.19 157.43 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.41 158.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.43 56.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.07 50.49 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -171.24 146.55 2.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.5 168.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.94 70.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 110' ' ' LEU . 10.0 t-20 70.9 111.28 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.78 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 t -135.26 137.87 42.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -59.88 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.52 157.13 21.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 75.42 3.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 50.33 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t 59.62 156.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -65.46 157.56 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.09 169.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.97 -108.08 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 61.76 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -90.95 -38.87 12.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.37 87.59 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 18.6 Cg_endo -74.9 133.71 17.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -74.95 -52.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.95 -71.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -40.45 143.04 0.69 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 18.4 Cg_endo -75.04 177.65 8.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 13' ' ' VAL . 7.5 p -135.4 84.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 97' ' ' ILE . 86.1 m-85 -69.19 -171.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.3 m-20 158.63 50.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 22.0 m 49.11 162.9 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.1 119.22 5.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -40.61 159.45 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.06 149.67 36.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.1 Cg_endo -75.03 163.7 34.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -145.25 -178.4 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER 61.88 14.68 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.7 OUTLIER -40.22 124.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.11 167.37 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 89' ' ' PHE . 1.4 mt -131.83 114.53 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.1 p -145.23 129.88 18.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' HB3' HG23 ' A' ' 33' ' ' VAL . 4.3 p-10 -144.92 -168.41 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -177.12 39.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.5 154.42 43.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.61 42.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -129.22 -52.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.74 173.59 16.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 27' ' ' ASP . 11.8 p -109.25 148.99 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -101.7 122.36 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 22.6 tp -96.25 111.19 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -97.62 116.08 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -115.67 163.13 16.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 54.2 m -120.17 109.93 36.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.03 -150.01 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.97 164.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 -17.5 12.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 3.2 m120 61.04 67.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 34.3 m120 67.93 -61.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.3 m -72.77 115.62 41.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.54 30.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.9 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -59.62 146.93 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 72' ' ' GLY . 68.3 p -126.12 -30.88 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -149.02 159.0 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 47' ' ' ILE . 37.6 m-85 -135.25 104.27 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.5 mp -89.04 156.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.82 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.3 mp -130.8 139.12 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ARG . 13.6 mt-10 -132.18 149.09 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' SER . 14.8 p90 -135.31 155.67 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -130.41 144.17 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.254 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' MET . 13.4 t0 -93.96 118.77 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.18 -9.06 43.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.464 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 15.8 ttm -91.85 -11.55 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 39.4 m80 -129.07 -78.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mtmt -118.62 94.36 47.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.96 23.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.21 -9.0 77.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 tp -93.88 103.0 15.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 41.9 m95 -95.57 139.15 32.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -121.71 178.09 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.641 ' CE1' HG21 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -85.86 125.61 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -102.43 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.1 t -163.83 155.27 16.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -132.97 151.9 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.46 -175.64 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.61 178.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.11 6.97 81.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.95 -8.29 13.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -85.66 158.85 19.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.461 ' C ' HG23 ' A' ' 76' ' ' THR . 18.9 p -146.21 14.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 75' ' ' THR . 74.1 p -153.24 132.39 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.1 144.26 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt-30 -73.63 135.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 35' ' ' LEU . 7.8 mt -113.78 123.99 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.15 108.53 13.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD12 ' CE1' ' A' ' 109' ' ' TYR . 14.0 mt -107.33 148.44 29.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -111.78 178.97 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -74.95 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 9.8 m-85 -77.46 89.06 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.723 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.1 p -176.39 139.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.507 ' CB ' HD21 ' A' ' 110' ' ' LEU . 34.2 t30 -123.85 147.42 47.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.723 ' CE2' HG22 ' A' ' 85' ' ' VAL . 1.3 p90 178.39 -174.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -125.92 -177.32 3.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HD2' HD11 ' A' ' 25' ' ' LEU . 24.3 m-85 -130.37 122.1 27.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.8 ttp180 -113.66 158.83 20.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG11 ' CG ' ' A' ' 37' ' ' TRP . 86.2 t -137.14 135.39 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.441 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -125.2 154.83 40.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 47' ' ' ILE . . . -122.92 133.56 54.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -124.72 129.86 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.7 p30 -132.04 -167.97 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -40.06 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.9 mm -65.65 -85.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.71 -154.37 7.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.597 ' HE2' HD13 ' A' ' 51' ' ' ILE . 23.7 ttmt -100.83 119.02 38.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 46.1 p -68.29 168.13 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.48 162.97 1.46 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -74.95 145.17 31.33 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 57.5 p -55.5 152.54 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 22.3 mt-10 -37.6 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.74 110.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.883 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.11 168.88 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.57 160.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.24 96.27 8.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.508 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -78.66 123.06 26.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -129.31 127.32 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.5 p -81.78 177.54 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 1.4 mptt -110.0 128.38 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 84' ' ' TYR . . . -107.2 58.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.42 58.82 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 174.15 132.19 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.01 30.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.407 ' C ' ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 165.6 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -88.35 -49.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.496 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 1.2 m-20 -43.81 -52.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 119' ' ' ASN . 18.3 Cg_endo -75.02 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 m 43.08 76.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.438 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.1 p -93.22 93.98 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.052 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -113.79 -152.63 10.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.69 136.28 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -88.04 137.87 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.51 146.36 50.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.01 159.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.77 80.62 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -86.47 146.99 26.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -143.1 -52.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.96 71.86 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.88 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.502 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.48 -51.21 9.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.97 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 69.4 139.75 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -168.88 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 12' ' ' PRO . 2.2 t -152.14 136.44 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 23.8 m-85 -117.48 -168.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.9 m-20 157.03 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.5 m 50.04 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.01 120.37 6.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -44.64 161.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.1 Cg_endo -75.02 150.85 38.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.0 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -151.95 -174.55 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.35 19.36 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.8 OUTLIER -42.67 153.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.62 165.18 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 109' ' ' TYR . 6.4 mt -138.43 109.29 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 25' ' ' LEU . 70.8 p -151.53 128.96 11.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -140.06 165.12 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -134.57 52.06 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.05 115.48 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.21 77.75 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.6 -55.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 117.18 5.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.1 p -57.22 173.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' H ' HG22 ' A' ' 33' ' ' VAL . 7.3 tt0 -128.36 133.5 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.95 HD13 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -102.76 121.19 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -112.42 102.72 10.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.95 ' CE3' HD13 ' A' ' 35' ' ' LEU . 43.2 p90 -107.23 163.53 12.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 91.2 m -127.86 112.78 20.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.07 122.89 7.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.39 -142.89 1.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.572 1.17 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.5 159.12 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.5 m-20 -109.94 -18.08 13.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' SER . 3.1 m120 61.08 68.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.9 m-80 66.85 -62.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -72.63 117.33 58.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -74.97 150.14 37.89 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.859 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -63.67 144.2 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 33.4 p -122.86 -35.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -143.81 159.23 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.859 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 m-85 -135.28 107.54 7.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.821 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -89.17 151.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.73 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.2 mp -127.33 158.13 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -155.44 156.28 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 16.8 p90 -142.14 157.5 44.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -123.93 138.24 54.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -89.17 91.12 8.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -68.48 -27.59 66.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.85 -31.88 66.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -102.83 -68.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -138.42 103.47 7.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.86 11.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.83 -18.06 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.3 tp -85.3 102.13 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.238 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 52.8 m95 -92.36 144.62 25.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.046 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.46 153.44 47.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -67.29 107.16 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.41 HE21 HD13 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -83.27 -77.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -168.57 160.65 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.64 167.48 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.47 -178.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.02 170.17 13.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.44 19.9 37.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.3 -36.28 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.629 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -84.79 170.81 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.5 p -152.33 20.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.414 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 16.4 p -141.51 120.02 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.41 138.34 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.559 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -74.71 130.08 38.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 78' ' ' GLN . 6.8 mt -109.04 142.25 40.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -96.86 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 89' ' ' PHE . 12.3 mt -107.27 154.88 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.87 163.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 136.56 20.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 11.2 m-85 64.2 56.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 87' ' ' TYR . 4.9 t -151.61 95.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 86' ' ' ASN . 1.6 t-20 -82.51 142.55 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -179.18 174.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.429 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.1 p -116.8 179.89 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 81' ' ' LEU . 84.4 m-85 -145.37 122.14 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -113.55 -175.86 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 37' ' ' TRP . 76.8 t -154.68 133.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.489 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 4.0 mtm -118.89 146.19 45.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -111.41 135.65 51.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.821 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.2 t -130.29 129.63 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 55.0 p30 -133.21 -167.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.92 -44.05 14.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 6.3 mm -60.59 -88.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -162.06 -156.63 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.702 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.3 ttmt -96.22 133.26 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.8 p -86.01 174.65 9.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -62.57 159.12 45.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.02 27.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLU . 53.8 p -49.55 151.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -35.92 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.31 109.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.13 170.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 162.78 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.01 97.92 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.578 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -81.83 117.02 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.919 HD23 ' HA ' ' A' ' 119' ' ' ASN . 6.5 tp -120.38 105.68 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -59.12 172.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -55.23 134.99 50.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -145.48 53.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.27 57.09 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -167.74 152.68 6.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -62.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.48 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -74.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.919 ' HA ' HD23 ' A' ' 110' ' ' LEU . 8.5 t-20 -134.52 142.33 42.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.9 m -85.51 99.38 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -103.73 148.44 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.96 159.82 33.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.81 10.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.2 m -107.23 100.12 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 146.39 24.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 9.8 m-85 -117.42 -165.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.4 m-20 157.24 54.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.631 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.68 161.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 122.24 7.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.99 160.8 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.95 39.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.94 171.97 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -149.74 178.43 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 17.34 7.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -41.13 133.16 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.26 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 109' ' ' TYR . 1.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 134.91 45.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 79' ' ' LEU . 38.0 tp -104.81 112.56 25.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.01 122.32 38.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CG ' HG11 ' A' ' 91' ' ' VAL . 34.7 p90 -127.77 163.8 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.9 m -128.64 111.36 19.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 111.99 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.11 -138.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.06 155.09 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -107.2 -16.57 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.2 m-80 61.0 67.97 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 12.3 m-80 66.86 -61.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.8 t -72.63 117.52 59.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.07 155.85 42.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.831 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -68.65 143.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 48' ' ' THR . 42.9 p -122.36 -35.09 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -144.31 160.54 40.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.831 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.2 m-85 -135.9 104.75 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.818 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.99 155.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.5 mp -132.58 160.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 24.5 mt-10 -155.37 159.58 40.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -145.77 158.35 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.14 128.62 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -73.35 93.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.24 -25.3 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -78.03 -9.14 58.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -127.46 -68.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 mtmt -135.61 96.71 13.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.06 114.51 4.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.61 -1.28 9.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.5 95.53 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 50.0 m95 -85.76 135.95 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -124.62 172.32 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.2 116.33 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.89 -77.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -168.22 160.87 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pp20? -130.4 171.58 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.894 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -149.19 -175.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.72 169.6 17.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 22.55 24.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.67 -37.6 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.894 ' NE2' HG11 ' A' ' 70' ' ' VAL . 5.9 pt20 -84.13 166.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -142.37 14.76 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -138.22 120.83 16.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.67 146.08 51.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -83.43 137.5 33.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 35' ' ' LEU . 9.9 mt -115.13 136.79 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -93.55 110.23 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.3 mt -108.89 159.95 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.66 165.56 32.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 140.24 25.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 63.75 52.16 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG12 ' CE2' ' A' ' 87' ' ' TYR . 2.1 t -147.26 129.75 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 110' ' ' LEU . 11.8 t-20 -121.72 143.89 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER 178.25 170.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.71 -179.06 3.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HD2' HD11 ' A' ' 25' ' ' LEU . 74.2 m-85 -139.42 121.6 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.606 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.0 ptt180 -116.73 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG11 ' CG ' ' A' ' 37' ' ' TRP . 79.0 t -102.38 143.97 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 6.5 mtm -128.06 151.38 49.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.28 133.96 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.818 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -129.12 131.25 68.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.4 p30 -132.72 -167.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -37.85 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -63.71 -77.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.63 -160.74 20.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.761 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.8 ttmt -98.29 129.11 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 79.1 p -80.69 179.96 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -70.68 161.56 76.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.04 144.66 30.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.8 p -49.56 152.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.696 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 6.6 mt-10 -35.53 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.87 104.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.785 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.4 p -60.37 174.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.7 168.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.49 96.97 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.471 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.77 117.44 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 86' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 19.6 m-85 -95.89 -164.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.4 m-20 158.37 51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.9 m 49.96 162.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.03 120.88 6.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.525 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.6 m-80 -45.73 164.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.97 151.18 39.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.5 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.36 170.25 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.05 18.73 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.868 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -50.15 130.82 23.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.46 159.27 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD22 ' HD2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.9 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -91.63 131.4 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 tp -107.5 111.47 23.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -96.3 121.96 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.802 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -126.62 162.94 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 88.9 m -128.89 111.77 18.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.04 112.27 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.52 -149.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -50.71 158.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.9 m-20 -110.68 -17.03 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.672 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER 60.79 68.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 50.8 m-80 66.66 -62.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 31.8 t -72.22 117.37 57.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.02 153.2 41.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -65.54 144.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.5 p -124.52 -34.1 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -144.73 160.5 41.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.807 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 23.4 m-85 -136.07 105.92 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.08 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.0 mp -126.45 160.57 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -155.03 159.86 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.55 163.28 37.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -145.29 148.91 33.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 58' ' ' MET . 27.7 t0 -91.64 131.99 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -104.29 -19.1 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' MET . 13.3 ttp -89.13 -4.22 58.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.417 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 24.2 m80 -129.83 -74.96 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -128.71 94.1 35.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.98 18.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.28 -15.37 57.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.54 103.09 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 55' ' ' GLU . 80.6 m95 -95.95 140.85 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.54 152.26 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -65.38 128.29 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.616 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.35 -73.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -169.17 166.2 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -133.0 170.73 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.929 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -146.34 -176.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 169.17 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 26.2 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -40.88 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.929 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.7 pt20 -81.06 158.6 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -136.34 20.9 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 47.4 p -146.05 128.8 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -137.47 151.42 48.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.675 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.3 mt-30 -84.96 138.25 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 78' ' ' GLN . 16.9 mt -121.14 132.58 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.08 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.677 HD11 HG11 ' A' ' 33' ' ' VAL . 8.9 mt -107.83 154.01 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.0 m -118.66 161.53 35.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.5 Cg_endo -74.96 139.53 24.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.2 m-85 71.95 50.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -152.98 116.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 4.3 t-20 -108.27 129.05 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.547 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -166.59 170.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.065 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.433 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 58.7 m -108.0 -179.51 3.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 49.8 m-85 -148.56 123.65 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -117.03 175.81 5.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 HD21 ' A' ' 23' ' ' LEU . 30.3 t -137.45 134.02 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.428 ' HE2' ' N ' ' A' ' 92' ' ' MET . 3.6 mtm -117.9 151.75 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.26 138.41 52.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.859 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -133.8 131.2 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.5 p30 -132.6 -167.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -44.58 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.1 mm -58.2 -82.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.78 -157.74 11.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.1 ttpp -96.37 135.07 38.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 78.3 p -87.05 176.86 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.62 161.74 49.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -75.01 144.31 30.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.436 ' OG ' HD22 ' A' ' 23' ' ' LEU . 19.1 p -51.43 156.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.2 mm-40 -37.06 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.77 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 p -61.83 162.07 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.67 150.25 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.6 101.46 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -78.72 123.27 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HD11 ' A' ' 97' ' ' ILE . 13.8 m-85 -116.91 -170.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.3 m-20 161.37 52.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 15' ' ' ASP . 32.6 m 50.03 162.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.01 120.88 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.405 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.3 m-80 -44.78 163.27 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.99 150.46 38.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.98 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -151.43 174.32 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.21 25.2 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.7 OUTLIER -52.32 133.99 34.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.6 167.61 24.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.796 HG21 ' CE2' ' A' ' 109' ' ' TYR . 3.2 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -87.94 142.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 79' ' ' LEU . 33.3 tp -116.22 111.8 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 m -99.37 118.43 35.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.735 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.0 p90 -121.03 163.89 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 69.2 m -126.41 109.7 23.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.99 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.16 -141.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.89 157.58 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.3 m-20 -109.3 -16.08 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.56 67.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 11.2 m-80 66.67 -61.35 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.5 t -72.41 117.1 55.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.23 43.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.834 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.67 143.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 35.6 p -121.74 -34.3 3.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.89 158.71 43.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.834 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 20.4 m-85 -134.03 105.2 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.822 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.77 152.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -128.38 160.61 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 44.8 mt-10 -154.68 162.66 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -148.3 160.88 42.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.15 144.79 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 59' ' ' HIS . 40.8 t0 -92.8 102.48 14.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.22 -18.64 57.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 34.4 ttm -82.77 -7.33 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 17.4 m80 -132.59 -70.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 95.16 32.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 108.56 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.56 -18.96 5.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 63' ' ' LEU . 11.6 tp -79.82 104.9 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -93.54 136.75 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -128.37 145.88 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.624 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.05 119.31 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -72.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 155.35 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.9 pp20? -124.94 168.65 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.714 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -144.45 -175.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 168.94 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.73 33.64 4.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.47 -44.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.714 ' NE2' HG11 ' A' ' 70' ' ' VAL . 15.3 pt20 -77.13 147.26 36.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -123.68 18.4 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.3 p -137.24 128.53 28.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.29 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.51 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -78.1 134.2 37.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.916 HD11 HD22 ' A' ' 35' ' ' LEU . 6.8 mt -110.97 135.48 51.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.577 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.1 t-20 -93.57 108.87 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' C ' ' A' ' 80' ' ' ASN . 5.6 mt -105.5 160.54 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.3 m -134.85 154.78 79.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 135.03 18.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 83' ' ' PRO . 4.2 m-85 68.59 47.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 87' ' ' TYR . 16.0 t -152.17 98.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' A' ' 110' ' ' LEU . 47.2 t30 -82.79 147.93 28.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 176.68 170.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 p -113.47 -178.57 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.527 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 75.9 m-85 -150.15 124.16 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 1.0 OUTLIER -115.04 -176.25 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.735 HG11 ' CG ' ' A' ' 37' ' ' TRP . 50.5 t -146.6 132.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.418 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -117.02 152.23 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.33 135.85 54.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.822 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -130.79 131.2 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 55.1 p30 -132.66 -167.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.89 -41.92 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.507 HD11 ' CG ' ' A' ' 14' ' ' TYR . 5.0 mm -60.03 -80.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.5 -159.55 15.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.736 ' HG3' HG22 ' A' ' 94' ' ' VAL . 18.9 ttmt -97.73 126.96 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 58.7 p -79.0 175.28 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.91 161.92 57.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.99 143.69 29.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.2 p -53.94 156.86 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 36.7 mt-10 -38.46 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.99 114.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.26 166.0 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.63 158.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.416 ' NE2' HD21 ' A' ' 86' ' ' ASN . 4.6 mt-30 -79.45 96.93 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -83.67 118.49 23.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.628 ' CB ' HD11 ' A' ' 97' ' ' ILE . 84.9 m-85 -74.39 -178.53 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 167.02 49.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.8 m 49.95 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.99 121.76 6.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 -45.94 164.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.5 Cg_endo -74.95 149.63 37.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.49 174.56 13.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.67 21.02 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -49.24 141.11 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.71 167.6 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.526 HD11 ' HD2' ' A' ' 89' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.844 ' NE2' HG22 ' A' ' 76' ' ' THR . 9.6 tm0? -103.84 131.12 51.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 17.1 tp -101.74 116.95 33.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -99.11 126.52 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.623 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.6 p90 -131.06 162.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 92.6 m -129.55 110.19 17.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 109.48 2.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.37 -140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.075 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -58.5 158.21 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -107.82 -17.38 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 1.9 m-80 61.07 65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.7 m-80 68.07 -60.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.483 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 4.4 m -72.99 116.81 54.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 149.04 36.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.816 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -64.61 142.42 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' GLY . 44.0 p -125.33 -33.51 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HE3' HD11 ' A' ' 51' ' ' ILE . 1.9 ttpt -139.61 157.28 46.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 8.2 m-85 -134.9 103.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -88.57 154.62 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.07 158.95 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 22.3 mt-10 -155.53 161.06 40.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -143.65 156.04 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -120.34 133.77 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.17 90.8 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.46 -9.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.5 ttm -84.94 -24.99 28.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -122.47 -75.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.8 96.78 45.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.88 34.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -80.0 101.26 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 81.6 m95 -89.78 140.96 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.063 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -125.63 159.51 31.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -73.15 110.91 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.91 -73.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -171.49 159.23 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -127.93 160.3 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG21 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.15 -175.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.62 164.09 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 47' ' ' ILE . . . -82.43 4.76 76.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.0 p -96.17 -21.86 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.457 ' NE2' HG21 ' A' ' 70' ' ' VAL . 2.4 pt20 -104.81 169.15 8.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p -147.1 20.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.844 HG22 ' NE2' ' A' ' 34' ' ' GLN . 2.9 p -143.55 124.98 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.23 151.52 51.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.533 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -85.56 130.38 34.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -108.45 130.94 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -91.77 109.16 20.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 9.5 mt -103.42 148.54 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -122.87 159.15 54.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 138.36 22.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m-85 70.24 46.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.433 ' CG2' ' C ' ' A' ' 84' ' ' TYR . 1.3 t -150.17 117.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.18 137.18 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -176.28 172.04 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.42 -179.33 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD2' HD11 ' A' ' 25' ' ' LEU . 52.2 m-85 -136.52 122.18 19.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 3.3 ptt180 -115.44 139.11 50.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.623 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.4 t -110.91 135.69 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.401 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.2 mtm -119.55 153.89 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.582 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.62 136.41 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -131.54 130.11 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 56.5 p30 -132.59 -170.01 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -44.23 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.628 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -59.59 -89.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -159.16 -155.3 7.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.689 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.4 ttmt -100.36 127.57 46.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 65.8 p -78.43 -179.1 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.0 mt -72.06 161.59 78.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.0 146.12 32.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 24.5 p -54.12 154.79 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 51.5 mt-10 -36.85 -80.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.02 110.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.566 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 p -65.34 -179.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 172.4 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -96.6 96.96 9.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.666 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -79.5 116.56 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CB ' HD11 ' A' ' 97' ' ' ILE . 45.2 m-85 -95.06 -175.26 3.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 11.9 m-20 166.31 50.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.1 m 49.87 162.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.5 Cg_endo -75.01 122.29 7.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 -46.44 165.23 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.96 147.98 34.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.03 170.18 20.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -151.32 174.35 13.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER 72.25 9.9 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 106' ' ' SER . 1.9 mp -40.79 137.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.47 164.14 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.541 ' NE2' HG22 ' A' ' 76' ' ' THR . 5.0 tm0? -99.32 121.55 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.97 HD22 HD11 ' A' ' 79' ' ' LEU . 34.9 tp -93.02 117.96 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 128.69 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.9 p90 -134.46 160.76 37.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 107.987 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 99.4 m -127.19 110.0 21.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.02 108.99 2.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.2 -140.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 156.09 12.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -106.97 -16.34 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.3 m-80 60.27 67.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.556 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 55.4 m-80 66.54 -61.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 m -71.63 115.96 42.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.5 Cg_endo -74.94 142.4 27.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.444 1.76 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.804 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.31 141.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -121.99 -33.43 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -146.06 160.24 42.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.804 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 24.9 m-85 -135.55 105.32 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.806 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.39 156.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' ARG . 2.6 mp -132.02 158.66 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 16.2 mt-10 -154.9 152.63 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -137.82 161.58 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -130.01 135.99 48.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.79 98.06 10.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.05 -22.88 44.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.4 ttm -78.53 -0.21 28.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.88 -69.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -131.4 93.88 28.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.68 5.76 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.32 -12.88 12.46 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.02 97.08 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 78.0 m95 -88.53 140.24 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -129.08 161.29 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.5 126.96 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.569 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.67 -75.55 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -167.99 165.55 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -136.24 166.77 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.921 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.56 -176.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.03 170.08 14.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.21 27.53 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.67 -41.07 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.921 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.7 pt20 -80.2 156.25 27.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -133.29 18.25 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.541 HG22 ' NE2' ' A' ' 34' ' ' GLN . 14.7 p -141.49 118.13 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -131.09 136.9 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.545 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -70.58 138.83 51.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.97 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -114.96 121.61 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.499 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -83.22 107.76 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 80' ' ' ASN . 6.7 mt -102.76 152.84 20.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.788 ' OG ' HG11 ' A' ' 85' ' ' VAL . 6.0 p -118.68 159.64 43.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.0 Cg_endo -75.08 138.25 22.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.612 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.5 m-85 64.32 74.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.792 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.7 p 178.15 113.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.418 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 28.8 t30 -100.75 146.34 27.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.792 ' CD1' HG22 ' A' ' 85' ' ' VAL . 13.8 p90 179.08 165.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -106.76 -177.69 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' HD11 ' A' ' 25' ' ' LEU . 52.5 m-85 -137.98 135.85 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.56 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.91 130.1 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.6 t -101.08 135.88 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.437 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.8 mtm -121.48 154.3 36.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.74 137.16 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -132.02 131.88 61.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.479 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.2 p30 -132.71 -167.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -42.05 31.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.59 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.1 mm -60.7 -82.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.11 -156.96 10.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.3 ttpp -97.61 128.85 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 54.3 p -82.53 177.95 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 mt -69.77 161.77 72.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.97 143.01 28.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.1 p -50.17 163.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 47.0 mt-10 -36.61 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.44 95.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.782 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.3 167.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -56.48 164.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -90.06 100.41 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.93 129.8 34.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 8.7 m-85 -116.3 -164.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.3 m-20 156.56 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.4 m 49.56 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -46.12 163.68 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -151.88 174.34 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.41 10.01 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.9 OUTLIER -42.03 144.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.6 167.39 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.72 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 79' ' ' LEU . 14.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 33' ' ' VAL . 9.7 tt0 -122.02 122.42 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 79' ' ' LEU . 59.1 tp -97.37 113.34 24.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -101.81 117.76 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 91' ' ' VAL . 39.7 p90 -120.09 163.1 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 23.4 m -130.04 112.52 17.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.0 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.68 -139.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.64 158.67 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.2 m-20 -110.34 -17.8 13.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 61.06 68.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.8 m-80 66.29 -62.11 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.0 t -72.16 117.09 55.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.03 153.78 41.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.06 144.63 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLY . 27.2 p -123.67 -34.51 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -144.82 160.34 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.836 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 28.1 m-85 -135.86 104.97 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.842 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -89.04 156.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' THR . 2.7 mp -131.86 159.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -155.39 164.84 38.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 22.3 p90 -148.01 158.93 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -122.26 117.37 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.92 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . -61.89 -34.57 76.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.3 ttm -67.56 -48.82 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -79.59 -67.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -143.44 107.48 5.17 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.81 12.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.82 -17.49 30.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 8.5 tp -87.38 96.02 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 65.9 m95 -84.57 140.29 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 107.96 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.69 126.9 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -104.7 -76.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ILE . 9.7 t -168.44 164.34 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 2.5 pp20? -135.05 165.3 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.911 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -142.24 -175.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.08 168.24 18.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.04 24.54 12.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -38.38 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.34 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.911 ' NE2' HG11 ' A' ' 70' ' ' VAL . 8.7 pt20 -86.38 162.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -141.36 19.25 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 p -139.09 121.61 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.86 136.84 44.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.48 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.3 mt-30 -70.95 130.61 42.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -112.48 129.34 56.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.411 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -99.17 108.76 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HA ' ' OH ' ' A' ' 87' ' ' TYR . 1.4 mt -107.72 147.49 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.682 ' HB2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -95.24 166.65 14.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.471 ' HG2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.0 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.477 ' O ' ' HB ' ' A' ' 85' ' ' VAL . 10.9 m-85 -109.7 84.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 82' ' ' SER . 2.1 p 170.5 153.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -143.85 153.89 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.678 ' CE2' HG22 ' A' ' 85' ' ' VAL . 8.3 p90 172.91 173.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.68 -178.59 3.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.72 ' HD2' HD11 ' A' ' 25' ' ' LEU . 44.6 m-85 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -119.73 125.98 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 37' ' ' TRP . 62.0 t -103.34 129.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.445 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 2.7 mtm -112.19 154.68 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.8 132.91 55.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.842 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -125.76 131.75 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.1 p30 -132.88 -167.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -37.74 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 23.8 mm -64.87 -77.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.77 -160.76 21.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.476 ' HG3' HG22 ' A' ' 94' ' ' VAL . 23.4 ttpp -95.35 132.14 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.4 p -86.11 176.06 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.31 162.15 51.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -52.04 162.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.699 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.5 mm-40 -36.78 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.07 92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.666 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -47.04 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 170.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.52 98.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.74 118.93 20.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.9 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 97' ' ' ILE . 74.8 m-85 -91.1 -177.45 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.6 m-20 167.59 50.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.7 m 49.98 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.99 163.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 145.1 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.437 1.756 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.99 155.61 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -136.87 -177.2 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.73 13.48 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD21 HG23 ' A' ' 91' ' ' VAL . 1.1 mp -41.55 122.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.81 170.57 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.598 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 137.15 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.845 HD22 HD11 ' A' ' 79' ' ' LEU . 52.4 tp -108.8 112.81 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -98.71 120.52 39.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -121.72 163.2 19.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.1 m -123.36 108.72 31.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -59.97 -141.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.92 151.7 34.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -103.96 -16.17 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.552 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.5 m-80 60.42 67.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 67.7 m-80 66.87 -61.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.0 t -72.42 117.32 57.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.0 154.05 42.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.862 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.57 142.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' GLY . 77.2 p -123.45 -33.14 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 1.9 ttpt -146.11 157.37 43.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 47' ' ' ILE . 30.4 m-85 -134.33 108.05 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.7 157.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.2 mp -133.53 136.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.98 160.57 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.24 155.31 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.02 142.63 49.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' LYS . 38.3 t0 -90.14 124.49 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -99.52 -11.41 21.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.424 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 30.6 ttm -93.17 -8.34 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -131.87 -79.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.0 mtmt -119.88 95.41 49.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.49 29.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.76 -23.29 29.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -77.88 100.98 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 87.5 m95 -90.61 134.46 34.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 51' ' ' ILE . 19.6 t-80 -86.33 114.32 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -85.22 -77.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -163.39 159.51 22.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -126.21 161.93 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.882 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -137.57 -175.63 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.91 169.19 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.73 23.67 21.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.98 -35.06 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.882 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.6 pt20 -87.08 157.57 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 p -133.09 20.09 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.1 p -145.99 123.54 11.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.26 141.37 46.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.478 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.3 mt-30 -76.49 137.12 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 35' ' ' LEU . 7.4 mt -110.99 123.91 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -86.64 109.69 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 109' ' ' TYR . 9.8 mt -107.07 157.96 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -131.16 159.2 72.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.501 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 144.04 29.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.501 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 5.2 m-85 70.25 42.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' CD2' ' A' ' 87' ' ' TYR . 3.1 t -151.03 126.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 6.0 t-20 -117.93 140.51 49.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -179.59 173.17 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -108.14 -178.39 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.726 ' HD2' HD11 ' A' ' 25' ' ' LEU . 23.3 m-85 -129.92 121.59 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.7 ttp180 -109.34 158.31 18.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.81 HG11 ' CG ' ' A' ' 37' ' ' TRP . 57.3 t -137.19 127.23 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.4 mpp? -119.73 158.97 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -127.53 134.1 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.746 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -130.0 133.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.8 p30 -132.58 -167.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -46.13 -44.22 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.2 mm -58.64 -85.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.486 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.96 -155.51 8.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.546 ' CD ' HD13 ' A' ' 51' ' ' ILE . 15.5 ttpp -97.69 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 84.0 p -84.69 163.46 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.22 162.4 0.86 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.531 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.06 140.16 24.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 79.4 p -53.79 157.47 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -41.88 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.01 117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.0 169.25 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.57 152.99 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -79.8 101.51 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE2' HG21 ' A' ' 33' ' ' VAL . 2.3 t80 -77.99 105.22 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 3.3 m-85 -74.07 -170.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 14' ' ' TYR . 14.7 m-20 162.43 146.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 100' ' ' SER . 26.9 m -40.77 160.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.1 Cg_endo -75.05 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.417 ' N ' HD22 ' A' ' 18' ' ' ASN . 0.9 OUTLIER -39.5 158.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 147.7 34.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.05 168.03 25.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -149.84 178.23 9.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.78 18.35 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 91' ' ' VAL . 1.5 mp -46.62 145.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.05 169.13 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.69 HD11 ' HD2' ' A' ' 89' ' ' PHE . 4.1 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 79' ' ' LEU . 12.3 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 131.62 50.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 79' ' ' LEU . 9.5 tp -103.93 114.21 28.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -99.44 123.43 43.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.7 p90 -125.53 163.33 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -124.15 110.78 28.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.59 -144.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.99 161.81 10.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -111.79 -18.08 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.31 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 65.7 m-80 67.32 -60.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.4 t -72.58 115.73 42.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.01 157.2 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.712 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -70.72 150.93 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.502 ' H ' HD13 ' A' ' 47' ' ' ILE . 59.8 p -128.96 -36.14 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -145.23 159.74 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 35.5 m-85 -134.26 109.18 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -88.49 157.2 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -131.11 154.4 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 7.3 mt-10 -145.56 164.03 32.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 12.1 p90 -153.85 157.37 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -130.09 137.71 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' LYS . 34.4 t0 -87.94 96.15 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.07 -18.94 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.8 ttm -81.45 -6.55 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -136.48 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 9.6 mtmt -125.34 94.86 42.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.57 20.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.04 -16.57 60.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -83.38 95.29 8.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -88.88 139.63 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 54.4 m-70 -125.77 179.14 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.671 ' CE1' HG23 ' A' ' 51' ' ' ILE . 5.4 t-80 -94.8 114.69 26.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.85 -76.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.0 t -161.93 160.13 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.1 164.98 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.862 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -141.31 -175.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.58 167.6 21.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.29 18.11 43.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.2 -27.05 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.862 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.1 pt20 -97.63 167.95 10.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p -142.71 14.46 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 72.3 p -137.86 123.43 19.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.71 143.23 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.5 mt-30 -79.44 133.73 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.575 HD11 HD22 ' A' ' 35' ' ' LEU . 8.6 mt -114.83 117.44 30.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.96 107.68 13.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -99.09 153.03 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.11 160.73 63.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 146.35 32.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 23.9 m-85 62.35 71.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.83 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.8 p 176.48 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.79 132.26 52.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.83 ' CD1' HG22 ' A' ' 85' ' ' VAL . 3.7 p90 -163.66 170.25 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 m -104.51 -179.03 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.69 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.5 m-85 -133.15 127.13 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HD3' ' CZ3' ' A' ' 64' ' ' TRP . 2.5 ttp180 -108.96 173.85 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 23' ' ' LEU . 49.4 t -153.48 121.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -117.75 149.88 40.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.15 138.16 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.0 t -130.09 130.48 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 57.3 p30 -130.43 -174.61 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -40.05 -47.01 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 14' ' ' TYR . 10.2 mm -58.95 -84.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.74 -157.93 9.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' CD ' HD13 ' A' ' 51' ' ' ILE . 19.7 ttpp -94.58 132.6 39.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 52.0 p -84.11 177.74 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -65.31 160.32 59.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.97 142.22 27.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' GLU . 11.7 p -52.77 154.5 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 17.5 mt-10 -36.15 -80.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 158.84 114.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.501 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.56 167.68 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 152.88 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -79.44 99.84 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -77.58 108.13 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 20.6 m-85 -95.29 -166.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.637 ' O ' ' O ' ' A' ' 16' ' ' VAL . 3.8 m-20 155.6 52.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 ' O ' ' O ' ' A' ' 15' ' ' ASP . 28.8 m 49.72 160.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -74.97 121.66 6.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.65 159.69 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -75.0 151.07 39.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.0 170.64 19.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -151.3 -176.15 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.23 20.07 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.6 OUTLIER -42.25 150.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.7 mt-10 -153.41 166.72 31.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 89' ' ' PHE . 3.0 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.727 HG21 ' HE2' ' A' ' 109' ' ' TYR . 6.6 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.465 ' NE2' HG22 ' A' ' 76' ' ' THR . 0.9 OUTLIER -102.64 131.0 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 79' ' ' LEU . 28.2 tp -100.08 117.49 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.2 p -97.85 124.73 42.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.646 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -127.32 162.27 26.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 63.5 m -122.24 110.94 32.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 109.55 2.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.55 -140.9 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.36 161.66 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.5 m-20 -112.12 -15.64 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 60.07 69.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 44.9 m-80 66.43 -62.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.7 m -71.63 116.83 51.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.98 21.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.864 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -48.74 142.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 19.4 p -122.61 -33.74 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -146.52 158.09 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 33.4 m-85 -134.0 102.73 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -89.05 156.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.444 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.0 mt -132.42 160.47 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 35.4 mt-10 -153.12 166.73 31.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -149.97 151.41 33.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -119.21 136.54 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.25 98.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 55' ' ' GLU . . . -88.21 15.36 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 ttm -102.94 -24.28 13.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -134.31 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -114.74 91.86 27.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.02 25.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 97.32 -27.76 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.34 97.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.605 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.1 m95 -84.15 148.48 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.99 161.53 32.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -75.72 119.39 19.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.64 -76.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 t -167.83 169.83 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 3.0 pp20? -142.66 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.73 -175.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 172.86 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -85.38 16.04 41.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -126.01 -1.74 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.442 ' C ' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.54 164.07 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' THR . 29.6 p -151.88 17.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 1.6 p -155.41 123.72 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.71 145.57 50.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 3.6 mt-30 -78.23 125.99 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -101.85 122.46 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.0 m120 -83.1 109.51 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 87' ' ' TYR . 11.8 mt -105.07 151.03 24.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -124.21 160.0 54.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 141.24 26.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 64.25 37.32 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 83' ' ' PRO . 2.8 t -141.81 109.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.242 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.479 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -101.24 145.59 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -179.75 174.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 -177.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.4 m-85 -136.7 121.95 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 8.9 ptt180 -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.646 HG11 ' CG ' ' A' ' 37' ' ' TRP . 53.3 t -103.92 143.47 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 5.8 mtm -126.83 154.28 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -124.0 125.01 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -118.76 134.23 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.9 p30 -132.29 -167.09 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -34.38 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.468 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -67.35 -76.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.32 -158.84 14.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.485 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.8 ttpp -97.65 124.09 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 100.0 p -74.57 175.27 7.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -65.99 158.47 75.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HG3' ' NH1' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.99 142.09 27.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.5 p -46.53 151.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 33.2 mt-10 -34.78 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.58 103.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -54.64 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 163.79 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -84.9 96.68 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.727 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -87.25 108.92 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.479 HD22 ' OD1' ' A' ' 86' ' ' ASN . 7.6 tp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.7 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CB ' HD11 ' A' ' 97' ' ' ILE . 93.5 m-85 -73.14 -176.66 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.7 m-20 165.79 50.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.628 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.9 m 49.83 161.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 123.44 7.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.583 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.92 163.85 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 148.1 34.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 174.46 12.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -151.65 175.32 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.91 16.67 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -50.67 129.85 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.2 152.46 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 35' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 109' ' ' TYR . 10.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -106.6 125.23 50.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 11.1 tp -91.61 126.13 36.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 34' ' ' GLN . 3.7 m -107.95 123.42 48.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.723 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.6 p90 -127.53 163.59 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -128.13 108.73 19.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.98 108.82 2.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.61 -143.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -56.43 156.65 5.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.4 m-20 -106.43 -16.43 14.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.653 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.1 m-80 61.69 67.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.552 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.7 m-80 67.13 -61.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -72.92 117.12 57.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.794 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -55.82 143.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -124.07 -32.72 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -143.07 161.47 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.794 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 10.7 m-85 -137.19 105.75 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mp -88.89 151.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mt -130.23 156.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 69.1 mt-10 -152.93 159.79 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 11.0 p90 -148.33 158.45 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.07 150.57 52.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 58' ' ' MET . 59.1 t0 -98.38 106.66 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.52 -9.51 58.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 7.0 ttm -87.9 -6.92 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 79.3 m80 -139.96 -77.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mtmt -114.44 93.36 31.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 138.2 22.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 98.41 -29.1 12.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.76 113.95 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.2 m95 -102.96 143.88 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -125.83 150.75 47.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.34 104.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.555 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -78.02 -75.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.7 t -172.18 155.76 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.6 pp20? -121.46 168.42 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.939 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -145.9 -175.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 170.31 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.46 28.46 8.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -43.07 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.939 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.5 pt20 -76.96 158.31 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -137.37 17.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.3 p -138.83 115.88 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.55 139.7 52.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.607 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -78.43 136.56 37.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 78' ' ' GLN . 13.3 mt -117.7 142.64 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.08 111.87 23.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' A' ' 109' ' ' TYR . 16.6 mt -110.25 158.86 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.84 168.16 17.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.623 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 134.32 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.623 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 10.0 m-85 64.36 65.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -153.38 94.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -86.32 122.89 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -162.28 175.56 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.547 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 50.9 m -115.69 -177.96 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 88' ' ' SER . 40.9 m-85 -150.53 131.8 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -122.78 -179.2 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.819 HG23 HD21 ' A' ' 23' ' ' LEU . 85.7 t -146.42 135.96 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.2 mtm -120.01 153.33 36.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.61 140.27 51.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -136.69 129.21 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 33.9 p30 -132.05 -171.5 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.2 m -39.6 -41.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.0 mm -63.3 -101.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.566 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -147.51 -153.7 6.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.627 ' HE2' HD13 ' A' ' 51' ' ' ILE . 27.7 ttmt -102.06 127.68 48.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 23.5 p -80.63 172.09 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.91 162.48 16.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.49 27.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.487 ' OG ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.14 161.51 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.724 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 3.4 mt-10 -38.46 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.48 100.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.824 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -54.12 164.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 148.77 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.94 103.6 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.737 ' CE2' HG21 ' A' ' 33' ' ' VAL . 1.6 t80 -76.98 133.6 39.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CB ' HD11 ' A' ' 97' ' ' ILE . 22.4 m-85 -112.17 -172.61 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 165.9 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 15' ' ' ASP . 31.0 m 49.99 161.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.98 122.34 7.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -45.72 163.74 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 150.64 38.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 168.69 24.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.92 176.52 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER 67.27 10.17 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -39.71 131.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.39 156.13 31.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.4 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.766 HG21 ' HE2' ' A' ' 109' ' ' TYR . 1.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.517 ' H ' HG22 ' A' ' 33' ' ' VAL . 20.2 tt0 -143.66 133.93 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 79' ' ' LEU . 55.3 tp -104.6 123.0 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -107.27 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CG ' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -121.64 163.06 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 9.4 m -129.3 112.76 18.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.04 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.68 -140.0 0.35 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 149.35 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.8 m-20 -103.0 -17.18 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.576 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.4 m-80 60.63 69.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 25.3 m-80 66.0 -62.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.6 t -71.92 116.91 53.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.04 150.81 38.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -62.51 142.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' GLY . 61.2 p -124.43 -33.45 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -144.22 156.38 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.894 ' CE2' HG21 ' A' ' 47' ' ' ILE . 27.9 m-85 -134.82 103.67 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.825 HD12 HG21 ' A' ' 94' ' ' VAL . 3.6 mt -88.6 154.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mp -131.71 154.81 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -148.52 170.99 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -154.19 160.25 41.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.81 137.38 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' LYS . 48.1 t0 -87.31 96.04 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -77.25 -17.14 58.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 36.0 ttm -77.57 -14.37 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 65.3 m80 -130.19 -70.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -125.59 97.14 36.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 134.73 18.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.13 -23.19 35.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.83 99.81 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 73.0 m95 -86.82 144.81 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -131.73 153.88 49.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.46 122.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -98.71 -76.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -168.82 162.61 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -129.22 163.82 24.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.93 -176.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.72 170.43 14.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.12 33.57 4.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 -45.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.505 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.4 pt20 -77.72 143.52 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 p -119.74 14.86 12.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.6 p -135.78 130.17 33.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.68 137.99 32.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.503 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -69.23 128.75 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.889 HD11 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -105.28 113.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.483 ' C ' HD23 ' A' ' 81' ' ' LEU . 5.3 m-80 -75.71 108.54 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 80' ' ' ASN . 9.2 mt -105.65 156.38 18.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.77 160.75 61.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 143.67 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 18.7 m-85 62.87 76.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.841 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.4 p 176.48 116.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -106.1 136.55 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.841 ' CD1' HG22 ' A' ' 85' ' ' VAL . 5.3 p90 -167.71 175.45 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.417 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 2.8 p -111.34 -178.82 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' HD2' HD11 ' A' ' 25' ' ' LEU . 40.2 m-85 -135.25 121.88 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -119.8 138.84 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG11 ' CG ' ' A' ' 37' ' ' TRP . 99.6 t -111.45 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.43 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.0 mtm -130.33 153.28 48.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.77 128.32 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 HD12 ' A' ' 51' ' ' ILE . 2.8 t -123.55 130.73 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 54.9 p30 -132.25 -167.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.03 -44.19 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.6 mm -59.06 -86.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.38 -155.89 8.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 94' ' ' VAL . 11.5 ttmt -98.62 127.36 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.2 p -78.14 179.01 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 162.18 58.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 146.23 32.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' GLU . 25.0 p -56.22 153.87 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.69 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -36.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.97 106.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.95 170.15 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -92.48 97.61 10.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -81.81 108.61 15.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 110' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CB ' HD11 ' A' ' 97' ' ' ILE . 96.0 m-85 -72.36 -173.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.5 m-20 163.8 51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.6 m 50.29 161.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.98 120.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.497 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.14 163.27 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 147.45 33.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.0 171.15 18.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.93 174.58 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 106' ' ' SER . 2.5 mp -50.55 132.45 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 149.1 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 35' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' LEU . 12.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -86.68 127.12 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 79' ' ' LEU . 10.1 tp -99.39 114.49 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -96.17 126.46 41.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.708 ' HB3' HG21 ' A' ' 91' ' ' VAL . 37.5 p90 -129.41 161.22 30.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 108.04 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 22.2 m -126.42 109.1 23.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.443 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.93 108.27 2.67 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.18 -144.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.3 154.84 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.46 -16.08 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.645 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.1 m-80 60.58 67.01 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 71.8 m-80 67.87 -60.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.491 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.4 m -72.81 116.33 49.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.1 33.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.802 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -60.32 143.21 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLY . 47.9 p -125.06 -32.46 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -142.1 159.04 43.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.802 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 9.7 m-85 -135.4 106.76 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.25 155.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mt -131.7 158.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -154.37 159.18 41.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . 12.3 p90 -145.91 159.86 42.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -135.63 150.18 49.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -99.75 107.01 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -15.57 56.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ttp -85.96 -16.64 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -120.25 -74.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -128.12 98.14 27.51 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.19 17.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.74 -23.53 32.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.34 115.64 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.603 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 66.6 m95 -104.46 138.67 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.63 147.93 45.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -64.82 108.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -85.61 -76.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 159.44 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.5 pp20? -124.91 166.52 16.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.622 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.1 -179.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.57 171.95 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -92.29 15.34 62.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 -22.92 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.622 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -98.38 170.2 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -149.02 19.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -148.51 125.72 11.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.64 145.72 43.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 45.3 mt-30 -74.99 142.48 43.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 HD22 ' A' ' 35' ' ' LEU . 13.6 mt -119.58 134.8 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' C ' HD23 ' A' ' 81' ' ' LEU . 2.8 m120 -89.87 108.49 19.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.928 HD12 ' CE1' ' A' ' 109' ' ' TYR . 8.4 mt -106.76 143.67 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.31 157.56 43.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.95 140.1 25.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 17.5 m-85 65.3 72.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.5 p 177.25 109.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -93.09 138.62 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -167.68 168.12 12.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -109.76 -178.7 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.481 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 41.7 m-85 -149.48 128.88 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.0 ptt180 -123.2 175.99 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.708 HG21 ' HB3' ' A' ' 37' ' ' TRP . 91.7 t -137.54 143.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 91' ' ' VAL . 4.0 mpp? -127.43 152.44 47.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.658 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.7 140.86 51.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.9 t -135.97 129.32 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.491 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.1 p30 -127.23 -168.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.11 -41.39 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.686 HD11 ' CB ' ' A' ' 14' ' ' TYR . 2.7 mm -59.74 -83.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -164.46 -154.89 8.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.629 ' HG3' HG22 ' A' ' 94' ' ' VAL . 19.4 ttmt -99.98 134.69 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 85.6 p -84.48 176.63 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -65.46 160.1 62.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 p -45.78 150.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 26.6 mt-10 -38.96 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.39 118.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.688 ' HB3' HD23 ' A' ' 23' ' ' LEU . 7.9 p -67.15 162.01 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.36 153.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -74.46 96.03 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.5 t80 -92.06 111.68 23.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 29.0 m-85 -97.17 -165.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.4 m-20 157.44 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 33.6 m 49.66 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.07 120.82 6.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.475 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -44.59 163.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.97 144.38 30.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.04 171.66 17.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.81 175.79 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.01 14.88 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.004 HD21 HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -50.58 130.12 23.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 151.62 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.784 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 79' ' ' LEU . 9.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.769 ' NE2' HG22 ' A' ' 76' ' ' THR . 1.5 tm0? -120.06 128.47 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.7 tp -90.98 118.06 30.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' NE2' ' A' ' 34' ' ' GLN . 1.3 m -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.683 ' CG ' HG11 ' A' ' 91' ' ' VAL . 28.5 p90 -134.28 160.99 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.7 m -127.36 112.04 21.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.29 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.09 -139.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.83 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -17.43 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.4 m-80 60.69 68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 41.7 m-80 66.03 -61.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.2 m -71.71 116.46 48.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.22 28.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.806 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.87 142.96 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLY . 40.5 p -122.85 -33.63 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.7 160.14 41.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 17.0 m-85 -134.46 107.26 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.68 153.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 ' CH2' ' A' ' 37' ' ' TRP . 3.7 mt -133.1 155.03 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 11.8 mt-10 -150.63 171.11 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -158.49 160.21 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.542 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -134.84 147.59 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -91.5 93.84 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.96 -3.7 40.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 25.7 ttm -95.95 -4.56 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 41.5 m80 -140.6 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.77 91.68 28.86 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 122.82 7.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.75 -21.76 13.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.62 101.48 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 74.4 m95 -92.64 139.85 30.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -128.63 140.12 51.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.07 123.2 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -97.94 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -171.52 152.8 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 pp20? -121.81 161.58 22.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.9 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.16 -175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 169.66 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.57 22.71 26.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.23 -34.29 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.9 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.9 pt20 -89.72 160.12 16.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -139.45 22.68 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.769 HG22 ' NE2' ' A' ' 34' ' ' GLN . 8.1 p -145.13 118.0 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.27 137.83 52.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.566 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.28 137.1 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 78' ' ' GLN . 7.7 mt -115.4 125.03 52.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.558 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -87.82 107.83 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.925 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -103.52 161.23 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 163.33 48.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.589 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 145.18 31.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.589 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 20.7 m-85 62.32 73.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.854 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.6 p 175.79 112.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -105.5 133.05 50.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.854 ' CD1' HG22 ' A' ' 85' ' ' VAL . 4.7 p90 -165.17 164.04 20.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 m -103.95 -177.78 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.784 ' HD2' HD21 ' A' ' 25' ' ' LEU . 29.7 m-85 -137.2 128.38 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.571 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -121.22 144.44 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 1.004 HG23 HD21 ' A' ' 23' ' ' LEU . 98.2 t -117.27 144.52 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.9 mpp? -130.24 154.66 47.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -123.04 140.55 52.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.7 t -134.76 133.95 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.6 p30 -131.79 -169.82 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -50.32 -37.74 38.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.423 ' HB ' ' OD1' ' A' ' 95' ' ' ASN . 6.9 mm -63.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.94 -159.26 11.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.56 ' CD ' HD13 ' A' ' 51' ' ' ILE . 20.6 ttpp -97.09 143.29 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 88.3 p -96.27 164.97 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.86 163.34 1.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.46 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.95 135.42 19.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 79.0 p -43.78 159.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.736 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 31.9 mt-10 -37.9 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.08 90.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.633 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 156.47 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.41 95.99 5.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.925 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.1 t80 -79.82 130.8 35.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' A' ' 86' ' ' ASN . 30.4 tp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CB ' HD11 ' A' ' 97' ' ' ILE . 21.1 m-85 -117.64 -172.58 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.625 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.8 m-20 164.23 52.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.625 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.2 m 49.79 162.57 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.07 121.27 6.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.94 164.56 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.01 170.08 21.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.95 179.32 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.65 14.78 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -48.25 133.11 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 149.17 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.5 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.73 131.51 43.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' HA ' HD13 ' A' ' 25' ' ' LEU . 9.2 tp -100.58 113.96 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 m -97.29 117.35 31.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CG ' HG11 ' A' ' 91' ' ' VAL . 46.0 p90 -120.87 162.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 107.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 47.0 m -126.87 112.08 22.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 106.44 2.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.71 -145.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.082 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 153.73 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.1 m-20 -105.24 -17.4 14.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.5 m-80 60.47 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 13.4 m-80 66.66 -61.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.3 t -72.48 117.19 56.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.22 43.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.792 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -69.14 145.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLY . 69.0 p -125.49 -34.28 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -142.23 158.81 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.792 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 12.0 m-85 -134.02 107.36 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.95 154.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.9 mt -131.58 154.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -148.12 169.83 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' SER . 9.1 p90 -158.2 159.04 35.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.545 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -136.98 150.91 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.3 t0 -99.34 103.96 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -73.79 -28.0 61.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.0 ttm -75.46 -13.5 60.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.407 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 21.9 m80 -119.97 -67.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mmmt -139.28 97.07 8.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.69 2.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.54 -23.2 4.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.65 108.32 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 64.4 m95 -99.09 140.9 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -125.71 152.55 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.6 116.15 6.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.08 -76.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -168.86 159.34 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.88 163.29 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.914 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -139.39 -175.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.82 168.85 17.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.3 23.31 19.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -38.19 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.914 ' NE2' HG11 ' A' ' 70' ' ' VAL . 7.1 pt20 -85.68 158.55 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 p -136.16 19.09 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 69.0 p -142.98 128.73 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.45 149.76 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.3 mt-30 -79.35 141.0 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 78' ' ' GLN . 10.5 mt -117.52 125.31 50.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' HD23 ' A' ' 81' ' ' LEU . 15.8 p-10 -79.27 108.68 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 109' ' ' TYR . 13.0 mt -108.35 147.02 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.44 160.97 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.94 137.18 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.606 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.2 m-85 64.91 79.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.801 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.4 p 173.43 103.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 110' ' ' LEU . 15.7 t30 -86.79 147.9 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.801 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -177.61 171.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -112.3 -178.86 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 42.2 m-85 -148.03 125.25 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.4 ptt180 -118.96 -177.84 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.84 HG11 ' CG ' ' A' ' 37' ' ' TRP . 89.0 t -144.58 145.28 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.8 mpp? -129.51 154.27 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.58 141.5 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -137.73 130.87 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 48.4 p30 -132.92 -171.33 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.4 m -42.01 -50.0 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.3 mm -52.27 -91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -157.73 -155.96 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.653 ' HG3' HG22 ' A' ' 94' ' ' VAL . 26.9 ttmt -100.16 133.67 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.3 p -84.62 175.22 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.53 162.25 58.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 136.13 19.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -50.34 158.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 2.0 mt-10 -42.29 -77.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.39 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.745 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.72 163.46 9.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.46 150.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.54 96.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.8 t80 -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 86' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 97' ' ' ILE . 60.0 m-85 -72.83 -171.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 16' ' ' VAL . 10.3 m-20 164.59 51.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.85 162.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.97 125.18 9.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.614 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -48.05 162.85 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.02 148.53 35.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.98 176.0 10.48 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -151.75 177.64 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.97 28.66 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -62.53 131.45 49.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.8 147.81 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.769 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.483 HG22 ' H ' ' A' ' 34' ' ' GLN . 7.1 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -123.54 136.34 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.683 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 tp -104.92 112.99 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -96.12 125.51 40.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.5 p90 -133.44 162.44 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 97.3 m -130.15 113.62 17.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 120.67 6.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -138.81 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.78 156.14 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -106.38 -15.61 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.614 HD21 ' ND2' ' A' ' 18' ' ' ASN . 1.3 m-80 60.7 67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 69.1 m-80 67.7 -60.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.3 m -73.28 117.39 59.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.9 23.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.825 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -52.8 142.71 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 20.6 p -123.22 -33.26 3.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.501 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -145.4 161.87 38.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 47' ' ' ILE . 29.6 m-85 -137.68 103.51 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.831 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.19 157.37 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.446 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.1 mt -129.45 160.36 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 20.9 mt-10 -152.51 157.59 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -146.13 162.36 38.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -137.4 146.76 44.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -94.87 95.95 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.79 -22.94 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 4.1 ttp -80.45 -10.63 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -129.83 -71.37 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -121.71 91.78 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.81 8.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.67 -24.24 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -78.72 110.2 13.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 86.1 m95 -101.38 133.29 46.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' HD22 ' A' ' 63' ' ' LEU . 21.4 m-70 -122.58 147.42 46.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.638 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.3 132.1 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.68 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -173.16 156.11 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.9 pt-20 -128.07 162.0 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.911 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.36 -175.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 169.3 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.38 23.39 19.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.11 -38.06 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.911 ' NE2' HG11 ' A' ' 70' ' ' VAL . 7.1 pt20 -85.81 166.26 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -143.44 18.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 34.7 p -138.3 120.24 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.25 147.32 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -79.08 134.34 36.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 78' ' ' GLN . 7.3 mt -109.64 127.92 54.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.4 m-20 -88.53 109.53 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 109' ' ' TYR . 10.3 mt -105.86 147.53 28.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.63 159.91 48.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.595 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 139.43 24.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.796 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 12.7 m-85 64.3 72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.771 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.3 p 177.47 118.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.464 HD21 ' NE2' ' A' ' 108' ' ' GLN . 53.8 t30 -103.81 146.45 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.771 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -176.18 165.75 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -108.59 -179.09 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' HD2' HD21 ' A' ' 25' ' ' LEU . 21.1 m-85 -134.88 122.42 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -118.7 129.42 55.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.836 HG23 HD21 ' A' ' 23' ' ' LEU . 66.1 t -100.81 141.62 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.7 mtm -124.93 154.52 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.0 135.33 55.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.831 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.64 131.81 66.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 54.8 p30 -132.63 -167.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.36 49.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.657 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.4 mm -60.65 -80.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.79 -159.32 14.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.6 ttpp -94.05 134.43 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.4 p -87.67 177.72 6.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.22 162.37 61.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.03 142.59 27.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 17.2 p -50.34 161.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.679 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -35.68 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.24 89.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.58 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -47.16 161.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 146.54 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.464 ' NE2' HD21 ' A' ' 86' ' ' ASN . 10.8 mt-30 -70.78 96.07 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -79.84 115.26 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.3 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CB ' HD11 ' A' ' 97' ' ' ILE . 25.5 m-85 -116.87 -174.36 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 164.32 50.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.8 m 49.49 162.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 118.46 5.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -42.35 164.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.5 33.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 91' ' ' VAL . 18.4 Cg_endo -75.03 168.61 24.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -151.15 177.87 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.07 30.44 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 106' ' ' SER . 2.2 mp -60.28 131.94 52.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -158.85 148.47 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.0 mm? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 10.0 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -115.85 134.64 54.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.0 tp -107.75 112.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -97.68 116.55 30.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.677 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.2 p90 -116.8 162.96 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 98.3 m -126.32 107.28 24.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.349 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -75.08 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.41 -144.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.0 158.66 6.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -109.23 -16.09 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.7 m-80 59.96 68.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.0 m-80 66.53 -62.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' ASN . 41.0 t -72.01 116.11 45.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -74.97 156.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.839 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -70.55 145.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.0 p -125.33 -32.9 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 1.5 ttpt -144.39 157.31 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.839 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.6 m-85 -134.67 107.33 7.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.809 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -87.77 151.39 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.1 mp -125.16 153.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -148.55 162.38 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -148.62 159.57 43.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.14 133.16 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.98 92.66 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -69.61 -26.55 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 ttm -73.73 -26.97 60.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -108.15 -69.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -136.42 101.69 9.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.01 136.31 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.13 -22.86 37.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' HE3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -80.3 106.99 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 62.3 m95 -94.7 136.46 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CE1' HD22 ' A' ' 63' ' ' LEU . 26.3 m-70 -126.28 150.67 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 51' ' ' ILE . 3.5 t-80 -64.34 125.84 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.64 -75.21 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -164.65 163.48 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.3 pp20? -130.97 164.43 25.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.64 -175.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.38 170.06 15.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.92 32.67 4.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.83 -43.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.524 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.1 pt20 -79.15 143.0 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -119.2 16.17 13.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.0 p -139.41 129.92 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -139.64 150.46 44.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.531 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.7 mt-30 -82.26 134.77 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 78' ' ' GLN . 8.6 mt -113.41 136.02 53.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.33 109.83 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 27.9 mt -107.06 159.72 16.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.51 161.22 64.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.04 141.64 26.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 16.0 m-85 63.81 74.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.2 p -179.47 123.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.422 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 11.5 t-20 -106.38 147.08 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.768 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.4 OUTLIER 179.03 -179.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -178.37 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.664 ' HD2' HD21 ' A' ' 25' ' ' LEU . 26.2 m-85 -130.87 121.34 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 2.5 ttp180 -109.22 158.82 17.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 37' ' ' TRP . 76.4 t -137.33 135.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -125.3 153.0 43.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.08 137.8 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.809 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -133.14 128.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 56.4 p30 -132.82 -169.34 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -46.6 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.535 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.6 mm -56.64 -87.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -161.09 -154.56 7.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.666 ' HG3' HG22 ' A' ' 94' ' ' VAL . 7.5 ttmt -102.69 119.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 47.9 p -69.38 178.03 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -69.77 161.93 71.3 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 144.54 30.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 p -55.25 157.81 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 24.5 mt-10 -39.32 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.12 115.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.601 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.4 t -56.28 165.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 155.01 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 86' ' ' ASN . 7.2 mt-30 -78.31 96.73 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 110' ' ' LEU . 1.3 t80 -105.42 122.25 45.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.566 ' O ' ' CE1' ' A' ' 109' ' ' TYR . 29.1 tp . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.7 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CB ' HD11 ' A' ' 97' ' ' ILE . 33.2 m-85 -102.69 -169.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.2 m-20 159.18 52.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.0 m 49.62 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -75.0 122.72 7.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.76 163.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.03 147.21 33.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 175.51 11.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 32.5 p90 -151.51 176.68 11.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 25.22 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -58.9 134.15 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.501 ' C ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -161.46 154.87 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 107' ' ' GLU . 1.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.805 ' CG1' HD11 ' A' ' 81' ' ' LEU . 12.0 p . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -106.02 128.11 53.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 89' ' ' PHE . 41.7 tp -106.23 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -97.23 119.09 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.783 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -122.21 163.95 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.2 m -125.86 110.76 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.02 117.09 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.82 -139.84 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -58.37 155.4 11.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -107.43 -16.29 14.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 59.45 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 35.0 m-80 66.65 -61.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 m -71.21 114.35 26.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 141.33 26.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.01 142.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' A' ' 48' ' ' THR . 37.6 p -122.86 -33.56 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -145.62 160.4 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.818 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.9 m-85 -136.16 103.71 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.759 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -88.72 152.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 91' ' ' VAL . 2.8 mp -130.54 161.0 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 23.8 mt-10 -155.83 153.06 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -137.81 159.42 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.31 143.32 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -88.77 99.21 12.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.93 -19.96 50.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 58' ' ' MET . 36.4 ttm -78.38 -5.55 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -135.64 -69.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HE3' HD22 ' A' ' 63' ' ' LEU . 7.4 mtmt -128.41 93.17 39.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.53 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.2 -3.78 6.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD22 ' HE3' ' A' ' 60' ' ' LYS . 11.7 tp -98.45 100.85 12.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 33.6 m95 -93.19 140.58 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -128.76 142.85 50.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.89 110.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.896 ' HG2' HD12 ' A' ' 79' ' ' LEU . 3.4 tp60 -86.63 -78.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -170.42 154.5 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 pt-20 -127.3 159.76 33.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.792 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.75 -175.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -179.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -100.87 18.85 54.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -30.3 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.792 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -87.47 171.53 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 p -146.16 16.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 3.7 p -140.49 127.15 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -136.35 163.61 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.599 ' O ' HD13 ' A' ' 79' ' ' LEU . 6.7 mt-30 -104.65 148.76 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.896 HD12 ' HG2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -124.5 119.62 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.62 106.57 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -128.28 163.67 24.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.9 168.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.04 151.3 39.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 40.1 m-85 59.31 56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.748 HG12 ' CE2' ' A' ' 87' ' ' TYR . 99.2 t -157.5 111.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' C ' ' CG ' ' A' ' 87' ' ' TYR . 64.9 t30 -88.27 161.45 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.748 ' CE2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 169.5 168.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.447 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.4 p -107.6 -178.9 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD22 ' A' ' 35' ' ' LEU . 96.4 m-85 -143.75 122.87 12.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.9 ptt180 -118.2 132.19 56.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 23' ' ' LEU . 93.0 t -103.28 146.97 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.4 mtm -131.72 151.69 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.89 135.95 54.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.759 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.28 131.18 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.4 p30 -132.65 -167.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.79 -41.98 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -60.49 -85.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -160.24 -153.39 6.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.691 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttmt -105.5 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 81.3 p -64.19 -177.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.02 161.01 77.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.94 139.24 24.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.444 ' OG ' HD22 ' A' ' 23' ' ' LEU . 83.6 p -45.05 152.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 63.0 mt-10 -35.02 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.61 96.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.746 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.6 t -44.9 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.81 173.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.471 ' NE2' HD21 ' A' ' 86' ' ' ASN . 6.8 mt-30 -91.17 96.21 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 59.3 t80 -92.34 125.95 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.652 ' CB ' HD11 ' A' ' 97' ' ' ILE . 98.3 m-85 -73.39 -179.76 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 16' ' ' VAL . 4.6 m-20 168.47 49.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 15' ' ' ASP . 29.5 m 50.03 162.24 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.465 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -49.35 164.15 0.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.63 34.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 171.7 17.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -151.96 174.76 13.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.73 23.93 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 106' ' ' SER . 1.5 mp -59.82 133.8 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.2 mt-10 -161.72 152.18 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 35' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.873 HG12 HD21 ' A' ' 81' ' ' LEU . 9.9 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.57 130.51 35.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 25' ' ' LEU . 28.3 tp -109.27 111.2 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -100.01 117.09 33.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.639 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.3 p90 -122.63 163.33 20.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 52.0 m -129.28 111.62 18.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.39 -141.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -59.05 157.84 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.63 -17.05 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.6 m-80 60.6 66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.576 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.0 m-80 68.04 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.496 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 32.2 m -72.11 113.88 24.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.22 32.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.66 142.12 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLY . 30.2 p -126.3 -32.11 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -138.69 158.86 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 5.2 m-85 -137.68 104.72 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.78 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mp -88.85 155.66 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.434 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.8 mt -132.53 158.18 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 27.2 mt-10 -155.85 140.3 16.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' SER . 5.9 p90 -129.64 158.89 38.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.83 155.9 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -100.91 89.32 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.18 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.517 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 tpp -79.97 -25.68 40.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -117.37 -70.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -115.58 91.14 28.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 120.98 -18.68 8.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -81.76 106.36 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 37.6 m95 -98.33 144.58 27.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -130.48 135.33 47.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.642 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -52.7 104.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.596 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -79.63 -72.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -171.84 164.49 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -126.71 173.03 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.919 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -147.93 -176.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.68 25.73 10.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.33 -38.35 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.919 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.7 pt20 -83.11 164.72 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 p -142.06 15.24 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 p -139.59 127.5 22.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.37 149.51 44.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.2 mt-30 -88.23 131.41 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -107.62 139.78 41.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 1.049 ' C ' HD13 ' A' ' 81' ' ' LEU . 7.8 p-10 -106.31 112.73 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -128.58 162.46 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.3 158.47 32.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.443 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.99 161.16 39.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.631 ' O ' HG23 ' A' ' 85' ' ' VAL . 14.8 m-85 57.87 46.15 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.845 HG12 ' CD2' ' A' ' 87' ' ' TYR . 55.9 t -159.21 132.38 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.509 ' C ' ' CD2' ' A' ' 87' ' ' TYR . 6.9 t-20 -101.71 152.15 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.845 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -176.49 165.99 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.5 p -114.05 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 88' ' ' SER . 25.3 m-85 -148.75 130.76 15.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.62 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -127.12 147.66 50.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' CG ' ' A' ' 37' ' ' TRP . 46.7 t -117.03 132.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.404 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.6 mtm -115.39 152.75 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.5 139.88 51.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.78 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -138.97 130.02 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 40.0 p30 -133.0 -172.14 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -37.89 -49.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.652 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.2 mm -54.86 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -155.8 -156.48 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 15.7 ttpp -99.66 134.24 42.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.2 p -85.19 -176.04 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.47 160.91 78.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 143.16 28.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLU . 26.9 p -52.09 154.74 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 39.8 mt-10 -35.42 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.07 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.872 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.1 p -42.66 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 153.57 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -72.4 96.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.659 ' CE2' HG21 ' A' ' 33' ' ' VAL . 58.3 t80 -95.09 117.29 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 85' ' ' VAL . 7.8 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 97' ' ' ILE . 86.1 m-85 -69.19 -171.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.3 m-20 158.63 50.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 22.0 m 49.11 162.9 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.1 119.22 5.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.567 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.3 m-80 -40.61 159.45 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.06 149.67 36.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.1 Cg_endo -75.03 163.7 34.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -145.25 -178.4 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER 61.88 14.68 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.7 OUTLIER -40.22 124.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.11 167.37 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 89' ' ' PHE . 1.4 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 ' CE2' ' A' ' 109' ' ' TYR . 11.8 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -101.7 122.36 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 22.6 tp -96.25 111.19 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -97.62 116.08 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -115.67 163.13 16.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 54.2 m -120.17 109.93 36.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.03 -150.01 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.97 164.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 -17.5 12.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.567 HD21 ' ND2' ' A' ' 18' ' ' ASN . 1.7 m-80 61.04 67.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 71.5 m-80 67.93 -61.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.3 m -72.77 115.62 41.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.54 30.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.9 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -59.62 146.93 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 72' ' ' GLY . 68.3 p -126.12 -30.88 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -149.02 159.0 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 47' ' ' ILE . 37.6 m-85 -135.25 104.27 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.5 mp -89.04 156.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.82 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.3 mp -130.8 139.12 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ARG . 13.6 mt-10 -132.18 149.09 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' SER . 14.8 p90 -135.31 155.67 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -130.41 144.17 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.254 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' MET . 13.4 t0 -93.96 118.77 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.18 -9.06 43.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.464 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 15.8 ttm -91.85 -11.55 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 39.4 m80 -129.07 -78.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mtmt -118.62 94.36 47.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.96 23.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.21 -9.0 77.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 tp -93.88 103.0 15.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 41.9 m95 -95.57 139.15 32.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -121.71 178.09 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.6 ' CE1' ' CG2' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -85.86 125.61 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -102.43 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.1 t -163.83 155.27 16.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -132.97 151.9 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.46 -175.64 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.61 178.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.11 6.97 81.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.95 -8.29 13.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -85.66 158.85 19.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.461 ' C ' HG23 ' A' ' 76' ' ' THR . 18.9 p -146.21 14.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 75' ' ' THR . 74.1 p -153.24 132.39 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.1 144.26 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt-30 -73.63 135.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 35' ' ' LEU . 7.8 mt -113.78 123.99 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.15 108.53 13.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD12 ' CE1' ' A' ' 109' ' ' TYR . 14.0 mt -107.33 148.44 29.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -111.78 178.97 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -74.95 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -77.46 89.06 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.723 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.1 p -176.39 139.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.507 ' CB ' HD21 ' A' ' 110' ' ' LEU . 34.2 t30 -123.85 147.42 47.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.723 ' CE2' HG22 ' A' ' 85' ' ' VAL . 1.3 p90 178.39 -174.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -125.92 -177.32 3.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HD2' HD11 ' A' ' 25' ' ' LEU . 24.3 m-85 -130.37 122.1 27.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.8 ttp180 -113.66 158.83 20.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG11 ' CG ' ' A' ' 37' ' ' TRP . 86.2 t -137.14 135.39 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.441 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -125.2 154.83 40.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 47' ' ' ILE . . . -122.92 133.56 54.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -124.72 129.86 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.7 p30 -132.04 -167.97 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -40.06 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.9 mm -65.65 -85.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.71 -154.37 7.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.597 ' HE2' HD13 ' A' ' 51' ' ' ILE . 23.7 ttmt -100.83 119.02 38.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 46.1 p -68.29 168.13 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.48 162.97 1.46 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -74.95 145.17 31.33 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 57.5 p -55.5 152.54 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 22.3 mt-10 -37.6 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.74 110.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.883 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.11 168.88 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.57 160.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.24 96.27 8.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.508 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -78.66 123.06 26.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 23.8 m-85 -117.48 -168.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.9 m-20 157.03 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.5 m 50.04 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.01 120.37 6.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.6 m-80 -44.64 161.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.1 Cg_endo -75.02 150.85 38.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.0 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -151.95 -174.55 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.35 19.36 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.8 OUTLIER -42.67 153.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.62 165.18 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 109' ' ' TYR . 6.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' H ' HG22 ' A' ' 33' ' ' VAL . 13.1 tt0 -128.36 133.5 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.95 HD13 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -102.76 121.19 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -112.42 102.72 10.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.95 ' CE3' HD13 ' A' ' 35' ' ' LEU . 43.2 p90 -107.23 163.53 12.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 91.2 m -127.86 112.78 20.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.07 122.89 7.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.39 -142.89 1.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.572 1.17 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.5 159.12 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.5 m-20 -109.94 -18.08 13.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 61.08 68.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.9 m-80 66.85 -62.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -72.63 117.33 58.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -74.97 150.14 37.89 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.859 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -63.67 144.2 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 33.4 p -122.86 -35.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -143.81 159.23 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.859 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 m-85 -135.28 107.54 7.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.821 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -89.17 151.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.73 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.2 mp -127.33 158.13 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -155.44 156.28 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 16.8 p90 -142.14 157.5 44.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -123.93 138.24 54.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -89.17 91.12 8.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -68.48 -27.59 66.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.85 -31.88 66.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -102.83 -68.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -138.42 103.47 7.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.86 11.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.83 -18.06 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.3 tp -85.3 102.13 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.238 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 52.8 m95 -92.36 144.62 25.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.046 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.46 153.44 47.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -67.29 107.16 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.41 HE21 HD13 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -83.27 -77.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -168.57 160.65 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.64 167.48 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.47 -178.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.02 170.17 13.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.44 19.9 37.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.3 -36.28 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.629 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -84.79 170.81 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.5 p -152.33 20.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.414 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 16.4 p -141.51 120.02 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.41 138.34 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.559 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -74.71 130.08 38.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 78' ' ' GLN . 6.8 mt -109.04 142.25 40.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -96.86 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 89' ' ' PHE . 12.3 mt -107.27 154.88 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.87 163.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 136.56 20.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 11.2 m-85 64.2 56.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 87' ' ' TYR . 4.9 t -151.61 95.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -82.51 142.55 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -179.18 174.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.429 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.1 p -116.8 179.89 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 81' ' ' LEU . 84.4 m-85 -145.37 122.14 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -113.55 -175.86 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 37' ' ' TRP . 76.8 t -154.68 133.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.489 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 4.0 mtm -118.89 146.19 45.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -111.41 135.65 51.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.821 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.2 t -130.29 129.63 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 55.0 p30 -133.21 -167.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.92 -44.05 14.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 6.3 mm -60.59 -88.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -162.06 -156.63 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.702 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.3 ttmt -96.22 133.26 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.8 p -86.01 174.65 9.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -62.57 159.12 45.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.02 27.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLU . 53.8 p -49.55 151.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -35.92 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.31 109.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.13 170.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 162.78 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.01 97.92 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.578 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -81.83 117.02 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 168.71 6.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.959 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -159.67 115.17 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.08 -178.26 20.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.04 152.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.97 167.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.66 91.94 1.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.5 Cg_endo -74.96 117.88 5.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.2 t -175.3 123.94 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 64.5 6.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -112.6 138.24 21.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.02 -170.53 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -151.89 131.4 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 9.8 m-85 -117.42 -165.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.4 m-20 157.24 54.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.631 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.68 161.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 122.24 7.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.99 160.8 0.28 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.95 39.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.94 171.97 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -149.74 178.43 8.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 17.34 7.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -41.13 133.16 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.26 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 109' ' ' TYR . 1.3 mt -135.63 107.91 7.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -141.8 137.56 31.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.671 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -146.85 -172.5 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 3.6 pt20 175.15 40.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.628 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -110.61 -75.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.47 -71.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 56.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.628 ' OG ' HD22 ' A' ' 29' ' ' LEU . 85.7 p -178.15 105.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 27' ' ' ASP . 8.2 p -91.8 146.22 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 134.91 45.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 79' ' ' LEU . 38.0 tp -104.81 112.56 25.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.01 122.32 38.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CG ' HG11 ' A' ' 91' ' ' VAL . 34.7 p90 -127.77 163.8 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.9 m -128.64 111.36 19.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 111.99 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.11 -138.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.06 155.09 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -107.2 -16.57 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.2 m-80 61.0 67.97 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 12.3 m-80 66.86 -61.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.8 t -72.63 117.52 59.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.07 155.85 42.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.831 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -68.65 143.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 48' ' ' THR . 42.9 p -122.36 -35.09 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -144.31 160.54 40.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.831 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.2 m-85 -135.9 104.75 5.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.818 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.99 155.08 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.5 mp -132.58 160.41 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 24.5 mt-10 -155.37 159.58 40.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -145.77 158.35 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -124.14 128.62 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -73.35 93.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.24 -25.3 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -78.03 -9.14 58.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -127.46 -68.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 mtmt -135.61 96.71 13.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.06 114.51 4.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.61 -1.28 9.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.5 95.53 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 50.0 m95 -85.76 135.95 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -124.62 172.32 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.2 116.33 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.89 -77.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -168.22 160.87 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.8 pp20? -130.4 171.58 12.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.894 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -149.19 -175.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.72 169.6 17.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.032 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 22.55 24.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.67 -37.6 3.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.894 ' NE2' HG11 ' A' ' 70' ' ' VAL . 5.9 pt20 -84.13 166.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -142.37 14.76 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -138.22 120.83 16.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.67 146.08 51.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -83.43 137.5 33.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.583 HD11 HD22 ' A' ' 35' ' ' LEU . 9.9 mt -115.13 136.79 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -93.55 110.23 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.3 mt -108.89 159.95 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.588 ' O ' HG21 ' A' ' 111' ' ' THR . 0.0 OUTLIER -129.66 165.56 32.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 140.24 25.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.9 m-85 63.75 52.16 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG12 ' CE2' ' A' ' 87' ' ' TYR . 2.1 t -147.26 129.75 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.499 ' HB2' HD23 ' A' ' 110' ' ' LEU . 11.8 t-20 -121.72 143.89 49.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER 178.25 170.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.71 -179.06 3.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.098 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HD2' HD11 ' A' ' 25' ' ' LEU . 74.2 m-85 -139.42 121.6 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.606 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.0 ptt180 -116.73 130.97 57.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG11 ' CG ' ' A' ' 37' ' ' TRP . 79.0 t -102.38 143.97 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 6.5 mtm -128.06 151.38 49.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.28 133.96 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.818 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -129.12 131.25 68.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.4 p30 -132.72 -167.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -37.85 62.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -63.71 -77.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -171.63 -160.74 20.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.761 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.8 ttmt -98.29 129.11 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 79.1 p -80.69 179.96 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.7 mt -70.68 161.56 76.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -75.04 144.66 30.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.8 p -49.56 152.74 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.696 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 6.6 mt-10 -35.53 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.87 104.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.785 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.4 p -60.37 174.66 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.7 168.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.49 96.97 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.471 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -79.77 117.44 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 111' ' ' THR . 0.9 OUTLIER -116.24 120.26 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.605 ' O ' HD13 ' A' ' 110' ' ' LEU . 24.9 p -64.05 178.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -75.68 142.6 42.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.486 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -141.79 -166.51 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -85.8 45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 11.3 tt0 175.81 139.73 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 115' ' ' GLU . 18.4 Cg_endo -75.01 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.34 130.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.72 -91.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.11 136.59 31.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.22 2.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.5 p -111.0 97.53 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.0 p -86.67 157.15 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -169.52 157.13 28.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 78.45 2.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -88.65 130.74 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t 61.13 87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -161.13 146.08 13.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -160.14 162.04 33.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 -130.06 4.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.65 99.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -146.49 151.86 38.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.75 118.91 6.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 57.07 4.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -76.6 -50.58 2.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.439 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.9 -57.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.54 35.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -167.1 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.7 p -130.83 117.67 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 19.6 m-85 -95.89 -164.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.4 m-20 158.37 51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.9 m 49.96 162.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.03 120.88 6.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.6 m-80 -45.73 164.46 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.97 151.18 39.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.5 Cg_endo -74.98 173.68 14.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -151.36 170.25 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.05 18.73 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.868 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -50.15 130.82 23.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.46 159.27 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD22 ' HD2' ' A' ' 109' ' ' TYR . 0.9 OUTLIER -123.97 112.36 17.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -146.13 136.61 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-10 -146.43 -168.65 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.12 -46.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.04 128.91 34.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.78 95.68 4.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.0 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -134.4 117.13 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.046 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.9 p -86.26 138.96 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -91.63 131.4 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 tp -107.5 111.47 23.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -96.3 121.96 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.802 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -126.62 162.94 24.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 88.9 m -128.89 111.77 18.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.04 112.27 3.52 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.52 -149.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -50.71 158.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.9 m-20 -110.68 -17.03 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.672 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER 60.79 68.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 50.8 m-80 66.66 -62.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 31.8 t -72.22 117.37 57.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.02 153.2 41.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -65.54 144.94 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.5 p -124.52 -34.1 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -144.73 160.5 41.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.807 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 23.4 m-85 -136.07 105.92 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.08 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.0 mp -126.45 160.57 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -155.03 159.86 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -148.55 163.28 37.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -145.29 148.91 33.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 58' ' ' MET . 27.7 t0 -91.64 131.99 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -104.29 -19.1 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' MET . 13.3 ttp -89.13 -4.22 58.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 24.2 m80 -129.83 -74.96 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -128.71 94.1 35.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.98 18.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.809 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.28 -15.37 57.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 tp -86.54 103.09 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 55' ' ' GLU . 80.6 m95 -95.95 140.85 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.018 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -129.54 152.26 49.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -65.38 128.29 35.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.616 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -104.35 -73.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -169.17 166.2 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -133.0 170.73 14.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.929 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -146.34 -176.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.08 169.17 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.92 26.2 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 -40.88 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.929 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.7 pt20 -81.06 158.6 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -136.34 20.9 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 47.4 p -146.05 128.8 16.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -137.47 151.42 48.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.675 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.3 mt-30 -84.96 138.25 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 78' ' ' GLN . 16.9 mt -121.14 132.58 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.08 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.677 HD11 HG11 ' A' ' 33' ' ' VAL . 8.9 mt -107.83 154.01 22.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.0 m -118.66 161.53 35.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.5 Cg_endo -74.96 139.53 24.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.54 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.2 m-85 71.95 50.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -152.98 116.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 4.3 t-20 -108.27 129.05 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -166.59 170.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.065 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.433 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 58.7 m -108.0 -179.51 3.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 49.8 m-85 -148.56 123.65 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -117.03 175.81 5.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.868 HG23 HD21 ' A' ' 23' ' ' LEU . 30.3 t -137.45 134.02 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.428 ' HE2' ' N ' ' A' ' 92' ' ' MET . 3.6 mtm -117.9 151.75 36.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -118.26 138.41 52.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.859 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -133.8 131.2 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.5 p30 -132.6 -167.28 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -44.58 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.1 mm -58.2 -82.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.78 -157.74 11.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 20.1 ttpp -96.37 135.07 38.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 78.3 p -87.05 176.86 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.62 161.74 49.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -75.01 144.31 30.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.436 ' OG ' HD22 ' A' ' 23' ' ' LEU . 19.1 p -51.43 156.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.2 mm-40 -37.06 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.77 101.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 p -61.83 162.07 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.67 150.25 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -80.6 101.46 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -78.72 123.27 26.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.4 OUTLIER -124.33 113.04 17.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -68.0 165.23 18.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -53.29 134.13 39.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -137.97 51.95 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.6 m 40.4 51.61 2.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.76 149.58 17.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.49 163.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.77 92.37 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 72.36 107.56 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.7 m -61.53 101.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.9 143.15 45.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -107.35 -143.78 11.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.9 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.1 m -144.84 94.58 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t 54.65 90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -174.14 166.81 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -162.94 138.46 6.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.22 -178.01 27.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 p -80.0 161.71 25.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -142.17 100.89 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.57 -156.54 8.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 72.32 4.73 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -136.46 89.93 18.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 88.11 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -151.62 138.46 11.96 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 -168.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -151.3 133.75 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CG ' HD11 ' A' ' 97' ' ' ILE . 13.8 m-85 -116.91 -170.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.3 m-20 161.37 52.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 15' ' ' ASP . 32.6 m 50.03 162.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.01 120.88 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.405 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.3 m-80 -44.78 163.27 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.99 150.46 38.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.98 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -151.43 174.32 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.21 25.2 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.7 OUTLIER -52.32 133.99 34.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.6 167.61 24.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.32 118.24 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -149.49 124.88 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -146.33 -178.27 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -175.78 40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -101.54 -75.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.16 -67.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -131.02 56.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.417 ' OG ' HD22 ' A' ' 29' ' ' LEU . 92.3 p -166.05 90.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.796 HG21 ' CE2' ' A' ' 109' ' ' TYR . 3.2 p -84.82 129.92 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -87.94 142.69 27.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.916 HD22 HD11 ' A' ' 79' ' ' LEU . 33.3 tp -116.22 111.8 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 m -99.37 118.43 35.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.735 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.0 p90 -121.03 163.89 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 69.2 m -126.41 109.7 23.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.99 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.16 -141.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.89 157.58 14.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.3 m-20 -109.3 -16.08 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.56 67.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 11.2 m-80 66.67 -61.35 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.5 t -72.41 117.1 55.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.23 43.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.834 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.67 143.01 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 35.6 p -121.74 -34.3 3.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.89 158.71 43.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.834 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 20.4 m-85 -134.03 105.2 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.822 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -88.77 152.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 2.7 mt -128.38 160.61 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' CG2' ' A' ' 52' ' ' ILE . 44.8 mt-10 -154.68 162.66 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -148.3 160.88 42.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.15 144.79 50.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.228 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 59' ' ' HIS . 40.8 t0 -92.8 102.48 14.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.22 -18.64 57.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 34.4 ttm -82.77 -7.33 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 17.4 m80 -132.59 -70.9 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 95.16 32.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 108.56 2.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.56 -18.96 5.67 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 63' ' ' LEU . 11.6 tp -79.82 104.9 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -93.54 136.75 33.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 107.974 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -128.37 145.88 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.624 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.05 119.31 6.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.25 -72.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -170.3 155.35 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.429 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.9 pp20? -124.94 168.65 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.714 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -144.45 -175.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 168.94 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.73 33.64 4.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.47 -44.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.714 ' NE2' HG11 ' A' ' 70' ' ' VAL . 15.3 pt20 -77.13 147.26 36.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -123.68 18.4 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.3 p -137.24 128.53 28.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.85 144.29 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.51 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -78.1 134.2 37.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.916 HD11 HD22 ' A' ' 35' ' ' LEU . 6.8 mt -110.97 135.48 51.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.577 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.1 t-20 -93.57 108.87 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' C ' ' A' ' 80' ' ' ASN . 5.6 mt -105.5 160.54 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.3 m -134.85 154.78 79.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 135.03 18.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.679 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 4.2 m-85 68.59 47.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 87' ' ' TYR . 16.0 t -152.17 98.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' A' ' 110' ' ' LEU . 47.2 t30 -82.79 147.93 28.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 176.68 170.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 p -113.47 -178.57 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 75.9 m-85 -150.15 124.16 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 1.0 OUTLIER -115.04 -176.25 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.735 HG11 ' CG ' ' A' ' 37' ' ' TRP . 50.5 t -146.6 132.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.418 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -117.02 152.23 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.33 135.85 54.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.822 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -130.79 131.2 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 55.1 p30 -132.66 -167.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.89 -41.92 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.507 HD11 ' CG ' ' A' ' 14' ' ' TYR . 5.0 mm -60.03 -80.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.5 -159.55 15.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.736 ' HG3' HG22 ' A' ' 94' ' ' VAL . 18.9 ttmt -97.73 126.96 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 58.7 p -79.0 175.28 10.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.91 161.92 57.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.99 143.69 29.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.2 p -53.94 156.86 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.703 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 36.7 mt-10 -38.46 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.99 114.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -63.26 166.0 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.63 158.86 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.416 ' NE2' HD21 ' A' ' 86' ' ' ASN . 4.6 mt-30 -79.45 96.93 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -83.67 118.49 23.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -116.15 124.98 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.5 p -77.35 157.54 30.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -56.58 156.62 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.679 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -164.05 130.7 3.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.4 ' O ' ' OE1' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -62.37 79.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER 169.44 120.67 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.77 33.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -158.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.98 77.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 1.1 m-20 168.8 -53.66 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 119' ' ' ASN . 18.4 Cg_endo -75.0 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.35 148.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.7 t 176.93 147.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -162.52 154.01 24.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -123.97 104.71 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 p -169.49 111.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -104.49 111.26 23.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 59.76 96.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.1 161.47 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -99.26 161.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.06 153.41 50.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.96 -153.68 24.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.92 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.6 p -143.98 89.2 7.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -155.62 138.69 10.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.94 170.06 21.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.01 86.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.628 ' CB ' HD11 ' A' ' 97' ' ' ILE . 84.9 m-85 -74.39 -178.53 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 167.02 49.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.8 m 49.95 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.99 121.76 6.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 -45.94 164.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.5 Cg_endo -74.95 149.63 37.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.49 174.56 13.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.67 21.02 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 106' ' ' SER . 0.6 OUTLIER -49.24 141.11 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -146.71 167.6 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.526 HD11 ' HD2' ' A' ' 89' ' ' PHE . 5.0 mt -138.51 103.66 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.7 p -143.77 137.11 27.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HB3' HG23 ' A' ' 33' ' ' VAL . 2.4 p-10 -146.67 -167.34 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -133.74 -46.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.94 124.68 37.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -74.34 94.33 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 172.71 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.04 92.11 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p -75.31 148.33 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.844 ' NE2' HG22 ' A' ' 76' ' ' THR . 9.6 tm0? -103.84 131.12 51.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 17.1 tp -101.74 116.95 33.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -99.11 126.52 44.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.623 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.6 p90 -131.06 162.59 29.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 92.6 m -129.55 110.19 17.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.4 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 109.48 2.94 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.37 -140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.075 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -58.5 158.21 7.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.1 OUTLIER -107.82 -17.38 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 1.9 m-80 61.07 65.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.7 m-80 68.07 -60.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.483 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 4.4 m -72.99 116.81 54.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 149.04 36.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.816 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -64.61 142.42 16.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' GLY . 44.0 p -125.33 -33.51 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HE3' HD11 ' A' ' 51' ' ' ILE . 1.9 ttpt -139.61 157.28 46.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 8.2 m-85 -134.9 103.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -88.57 154.62 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.07 158.95 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 22.3 mt-10 -155.53 161.06 40.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.9 p90 -143.65 156.04 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -120.34 133.77 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.17 90.8 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.46 -9.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.5 ttm -84.94 -24.99 28.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -122.47 -75.44 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.8 96.78 45.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.88 34.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -80.0 101.26 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 81.6 m95 -89.78 140.96 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.063 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -125.63 159.51 31.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -73.15 110.91 7.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.91 -73.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -171.49 159.23 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -127.93 160.3 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG21 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.15 -175.6 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.62 164.09 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 47' ' ' ILE . . . -82.43 4.76 76.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.0 p -96.17 -21.86 17.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.439 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.457 ' NE2' HG21 ' A' ' 70' ' ' VAL . 2.4 pt20 -104.81 169.15 8.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p -147.1 20.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.844 HG22 ' NE2' ' A' ' 34' ' ' GLN . 2.9 p -143.55 124.98 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.23 151.52 51.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.533 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.5 mt-30 -85.56 130.38 34.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -108.45 130.94 55.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -91.77 109.16 20.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 9.5 mt -103.42 148.54 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -122.87 159.15 54.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 138.36 22.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 4.1 m-85 70.24 46.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.433 ' CG2' ' C ' ' A' ' 84' ' ' TYR . 1.3 t -150.17 117.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.18 137.18 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -176.28 172.04 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.42 -179.33 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' HD2' HD11 ' A' ' 25' ' ' LEU . 52.2 m-85 -136.52 122.18 19.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 3.3 ptt180 -115.44 139.11 50.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.623 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.4 t -110.91 135.69 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.401 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.2 mtm -119.55 153.89 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.582 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.62 136.41 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.5 t -131.54 130.11 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 56.5 p30 -132.59 -170.01 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.91 -44.23 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.628 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -59.59 -89.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.497 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -159.16 -155.3 7.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.689 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.4 ttmt -100.36 127.57 46.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 65.8 p -78.43 -179.1 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.0 mt -72.06 161.59 78.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.0 146.12 32.25 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 24.5 p -54.12 154.79 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 51.5 mt-10 -36.85 -80.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.02 110.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.566 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 p -65.34 -179.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.42 172.4 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -96.6 96.96 9.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.666 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -79.5 116.56 19.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.1 tp -126.19 114.99 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.3 p -73.9 172.26 11.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -51.42 130.98 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -145.87 56.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.83 57.89 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.76 148.03 1.69 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' ASP . 18.2 Cg_endo -74.99 -59.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' PRO . 2.7 t0 -39.9 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -84.68 -60.86 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -134.1 133.46 21.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.61 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.4 m -73.47 124.22 25.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.73 156.24 33.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -93.69 -144.27 15.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.98 5.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.81 132.77 42.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.972 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.3 t -103.9 127.78 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -104.72 129.78 52.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.61 140.25 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.57 158.46 8.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -144.99 -57.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -71.64 146.05 48.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.34 101.05 0.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.99 142.96 28.52 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.1 t -175.42 124.23 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 137.59 3.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -74.99 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.6 p -132.09 110.17 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CB ' HD11 ' A' ' 97' ' ' ILE . 45.2 m-85 -95.06 -175.26 3.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.62 ' O ' ' O ' ' A' ' 16' ' ' VAL . 11.9 m-20 166.31 50.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.1 m 49.87 162.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.5 Cg_endo -75.01 122.29 7.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.4 m-80 -46.44 165.23 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -74.96 147.98 34.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.03 170.18 20.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -151.32 174.35 13.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER 72.25 9.9 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 106' ' ' SER . 1.9 mp -40.79 137.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.47 164.14 35.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.2 mt -138.11 102.59 4.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.0 p -143.36 121.78 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.789 ' HB3' HG23 ' A' ' 33' ' ' VAL . 2.9 p-10 -146.5 158.96 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -132.89 60.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -147.29 -48.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 8.1 t70 78.33 75.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt 170.3 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 m -138.47 70.02 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.789 HG23 ' HB3' ' A' ' 27' ' ' ASP . 14.8 p -55.05 148.38 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.541 ' NE2' HG22 ' A' ' 76' ' ' THR . 5.0 tm0? -99.32 121.55 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.97 HD22 HD11 ' A' ' 79' ' ' LEU . 34.9 tp -93.02 117.96 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.84 128.69 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.9 p90 -134.46 160.76 37.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 107.987 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 99.4 m -127.19 110.0 21.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.02 108.99 2.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.2 -140.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 156.09 12.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.4 OUTLIER -106.97 -16.34 14.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.3 m-80 60.27 67.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.556 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 55.4 m-80 66.54 -61.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 m -71.63 115.96 42.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.5 Cg_endo -74.94 142.4 27.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.444 1.76 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.804 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.31 141.5 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLY . 37.6 p -121.99 -33.43 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -146.06 160.24 42.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.804 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 24.9 m-85 -135.55 105.32 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.806 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.39 156.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' ARG . 2.6 mp -132.02 158.66 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 16.2 mt-10 -154.9 152.63 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -137.82 161.58 36.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -130.01 135.99 48.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.79 98.06 10.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.05 -22.88 44.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 38.4 ttm -78.53 -0.21 28.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.88 -69.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -131.4 93.88 28.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 119.68 5.76 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.32 -12.88 12.46 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.02 97.08 10.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 78.0 m95 -88.53 140.24 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -129.08 161.29 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.634 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.5 126.96 30.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.569 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.67 -75.55 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -167.99 165.55 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -136.24 166.77 22.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.921 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.56 -176.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.03 170.08 14.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -91.21 27.53 9.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.67 -41.07 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.754 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.921 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.7 pt20 -80.2 156.25 27.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 p -133.29 18.25 4.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.541 HG22 ' NE2' ' A' ' 34' ' ' GLN . 14.7 p -141.49 118.13 10.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -131.09 136.9 48.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.545 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -70.58 138.83 51.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.97 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -114.96 121.61 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.499 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -83.22 107.76 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD23 ' C ' ' A' ' 80' ' ' ASN . 6.7 mt -102.76 152.84 20.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.788 ' OG ' HG11 ' A' ' 85' ' ' VAL . 6.0 p -118.68 159.64 43.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.0 Cg_endo -75.08 138.25 22.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.612 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 13.5 m-85 64.32 74.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.792 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.7 p 178.15 113.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.418 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 28.8 t30 -100.75 146.34 27.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.792 ' CD1' HG22 ' A' ' 85' ' ' VAL . 13.8 p90 179.08 165.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -106.76 -177.69 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' HD11 ' A' ' 25' ' ' LEU . 52.5 m-85 -137.98 135.85 36.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.56 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.3 OUTLIER -123.91 130.1 52.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 37' ' ' TRP . 61.6 t -101.08 135.88 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.437 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.8 mtm -121.48 154.3 36.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.74 137.16 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.806 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -132.02 131.88 61.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.479 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.2 p30 -132.71 -167.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.5 -42.05 31.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.59 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.1 mm -60.7 -82.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -167.11 -156.96 10.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.3 ttpp -97.61 128.85 44.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 54.3 p -82.53 177.95 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 mt -69.77 161.77 72.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -74.97 143.01 28.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.1 p -50.17 163.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.705 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 47.0 mt-10 -36.61 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.44 95.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.782 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.3 167.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -56.48 164.28 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -90.06 100.41 13.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.93 129.8 34.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 119' ' ' ASN . 8.7 tp -118.06 119.81 35.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.597 HG21 ' O ' ' A' ' 82' ' ' SER . 77.4 p -68.3 -176.7 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -72.25 160.35 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.603 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -170.47 -171.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.28 65.95 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.0 139.13 0.44 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t0 70.42 169.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.15 -77.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.535 ' HA ' HD23 ' A' ' 110' ' ' LEU . 26.0 t-20 -125.77 99.86 31.86 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 95.36 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -129.33 -54.89 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.8 t -113.63 -59.43 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 98.86 168.5 30.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.48 26.74 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.5 p -165.81 160.81 17.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.45 144.13 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.158 . . . . 0.0 111.009 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 p 55.78 166.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.35 135.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.63 -165.63 26.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.03 165.95 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -140.58 154.39 46.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -149.05 5.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.2 Cg_endo -75.03 74.35 4.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.2 t -174.87 123.81 0.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.22 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.45 136.01 14.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 -170.87 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.1 t -152.0 128.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 8.7 m-85 -116.3 -164.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.3 m-20 156.56 54.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.4 m 49.56 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -74.99 123.66 8.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -46.12 163.68 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -151.88 174.34 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.41 10.01 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.9 OUTLIER -42.03 144.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.6 167.39 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.72 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.6 mt -134.8 108.08 7.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 25' ' ' LEU . 40.3 p -150.37 126.85 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' CG ' HG23 ' A' ' 33' ' ' VAL . 20.1 p-10 -144.37 171.79 13.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -143.07 34.4 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -141.68 114.7 8.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -72.25 65.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.588 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -156.39 -48.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.93 133.97 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.955 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 79' ' ' LEU . 14.2 p -82.85 168.5 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 33' ' ' VAL . 9.7 tt0 -122.02 122.42 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 79' ' ' LEU . 59.1 tp -97.37 113.34 24.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -101.81 117.76 35.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 91' ' ' VAL . 39.7 p90 -120.09 163.1 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 108.017 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 23.4 m -130.04 112.52 17.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.0 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.68 -139.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.64 158.67 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.2 m-20 -110.34 -17.8 13.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 61.06 68.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.8 m-80 66.29 -62.11 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' ASN . 29.0 t -72.16 117.09 55.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -75.03 153.78 41.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -67.06 144.63 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' GLY . 27.2 p -123.67 -34.51 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -144.82 160.34 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.836 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 28.1 m-85 -135.86 104.97 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.842 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.2 mt -89.04 156.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' THR . 2.7 mp -131.86 159.21 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -155.39 164.84 38.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 22.3 p90 -148.01 158.93 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -122.26 117.37 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.92 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' GLU . . . -61.89 -34.57 76.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.3 ttm -67.56 -48.82 65.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -79.59 -67.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.633 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER -143.44 107.48 5.17 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.81 12.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.82 -17.49 30.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 8.5 tp -87.38 96.02 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 65.9 m95 -84.57 140.29 31.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 107.96 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -132.08 154.61 49.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.568 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.69 126.9 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -104.7 -76.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' ILE . 9.7 t -168.44 164.34 12.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 2.5 pp20? -135.05 165.3 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.911 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -142.24 -175.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.08 168.24 18.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.04 24.54 12.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.06 -38.38 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.34 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.911 ' NE2' HG11 ' A' ' 70' ' ' VAL . 8.7 pt20 -86.38 162.55 18.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -141.36 19.25 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 p -139.09 121.61 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.86 136.84 44.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.48 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.3 mt-30 -70.95 130.61 42.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -112.48 129.34 56.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.411 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -99.17 108.76 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HA ' ' OH ' ' A' ' 87' ' ' TYR . 1.4 mt -107.72 147.49 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.682 ' HB2' HG11 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -95.24 166.65 14.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.685 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 18.2 Cg_endo -75.0 -35.67 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.657 ' HD1' ' HB1' ' A' ' 113' ' ' ALA . 10.9 m-85 -109.7 84.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 82' ' ' SER . 2.1 p 170.5 153.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -143.85 153.89 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.678 ' CE2' HG22 ' A' ' 85' ' ' VAL . 8.3 p90 172.91 173.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.68 -178.59 3.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.037 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.72 ' HD2' HD11 ' A' ' 25' ' ' LEU . 44.6 m-85 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -119.73 125.98 49.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 37' ' ' TRP . 62.0 t -103.34 129.66 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.445 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 2.7 mtm -112.19 154.68 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.8 132.91 55.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.842 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -125.76 131.75 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 56.1 p30 -132.88 -167.31 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -37.74 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 23.8 mm -64.87 -77.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.77 -160.76 21.98 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.476 ' HG3' HG22 ' A' ' 94' ' ' VAL . 23.4 ttpp -95.35 132.14 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.4 p -86.11 176.06 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.31 162.15 51.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.01 143.1 28.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -52.04 162.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.699 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.5 mm-40 -36.78 -85.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.07 92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.666 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -47.04 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.45 170.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.52 98.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.593 ' HE1' HG22 ' A' ' 111' ' ' THR . 1.2 t80 -77.74 118.93 20.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -132.11 103.32 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.593 HG22 ' HE1' ' A' ' 109' ' ' TYR . 68.2 p -63.39 -168.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.44 159.85 15.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 83' ' ' PRO . . . -168.17 -172.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m -83.93 69.66 10.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.77 147.71 0.65 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.97 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 t0 63.95 166.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 72.95 1.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.524 ' HA ' HD12 ' A' ' 110' ' ' LEU . 23.2 t-20 58.55 107.55 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 t -104.22 -28.69 11.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.37 138.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -112.31 159.36 13.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.16 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.794 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -120.58 144.84 47.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 54.1 p -136.52 151.1 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.39 149.2 34.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 p -110.6 164.53 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.23 136.03 7.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.58 156.14 7.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.042 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m 66.7 139.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.8 170.77 15.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.51 6.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -127.58 90.14 49.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.25 139.2 91.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.9 p -134.38 109.8 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 97' ' ' ILE . 74.8 m-85 -91.1 -177.45 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.6 m-20 167.59 50.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.7 m 49.98 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.99 163.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 145.1 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.437 1.756 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -74.99 155.61 42.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -136.87 -177.2 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.73 13.48 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD21 HG23 ' A' ' 91' ' ' VAL . 1.1 mp -41.55 122.52 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.81 170.57 15.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.2 mt -133.98 122.13 22.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -150.85 120.2 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.635 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.5 p-10 -142.53 -171.11 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -171.92 43.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.577 HD22 ' OG ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -122.63 -164.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' H ' HD23 ' A' ' 29' ' ' LEU . 9.2 t0 -94.19 -62.97 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.79 67.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.577 ' OG ' HD22 ' A' ' 29' ' ' LEU . 60.5 p -176.49 116.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.635 HG23 ' HB3' ' A' ' 27' ' ' ASP . 8.2 p -118.11 137.63 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 137.15 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.078 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.845 HD22 HD11 ' A' ' 79' ' ' LEU . 52.4 tp -108.8 112.81 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -98.71 120.52 39.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -121.72 163.2 19.47 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.1 m -123.36 108.72 31.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -59.97 -141.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.92 151.7 34.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -103.96 -16.17 15.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.552 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.5 m-80 60.42 67.98 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 67.7 m-80 66.87 -61.64 0.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' ASN . 32.0 t -72.42 117.32 57.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.0 154.05 42.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.862 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -64.57 142.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 72' ' ' GLY . 77.2 p -123.45 -33.14 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 1.9 ttpt -146.11 157.37 43.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 47' ' ' ILE . 30.4 m-85 -134.33 108.05 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.7 157.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.2 mp -133.53 136.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -127.98 160.57 31.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.24 155.31 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.02 142.63 49.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' LYS . 38.3 t0 -90.14 124.49 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -99.52 -11.41 21.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.424 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 30.6 ttm -93.17 -8.34 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -131.87 -79.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.0 mtmt -119.88 95.41 49.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.49 29.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.76 -23.29 29.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -77.88 100.98 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.597 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 87.5 m95 -90.61 134.46 34.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 51' ' ' ILE . 19.6 t-80 -86.33 114.32 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -85.22 -77.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.4 t -163.39 159.51 22.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.5 pp20? -126.21 161.93 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.882 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -137.57 -175.63 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.91 169.19 17.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.73 23.67 21.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.98 -35.06 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.882 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.6 pt20 -87.08 157.57 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 p -133.09 20.09 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.448 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.1 p -145.99 123.54 11.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.26 141.37 46.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.478 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.3 mt-30 -76.49 137.12 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 35' ' ' LEU . 7.4 mt -110.99 123.91 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -86.64 109.69 19.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 109' ' ' TYR . 9.8 mt -107.07 157.96 17.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -131.16 159.2 72.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' C ' ' CG ' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 144.04 29.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.501 ' CG ' ' C ' ' A' ' 83' ' ' PRO . 5.2 m-85 70.25 42.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' CD2' ' A' ' 87' ' ' TYR . 3.1 t -151.03 126.76 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.467 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 6.0 t-20 -117.93 140.51 49.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -179.59 173.17 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -108.14 -178.39 3.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.977 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.726 ' HD2' HD11 ' A' ' 25' ' ' LEU . 23.3 m-85 -129.92 121.59 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.7 ttp180 -109.34 158.31 18.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.81 HG11 ' CG ' ' A' ' 37' ' ' TRP . 57.3 t -137.19 127.23 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.531 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.4 mpp? -119.73 158.97 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -127.53 134.1 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.746 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -130.0 133.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 53.8 p30 -132.58 -167.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -46.13 -44.22 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.2 mm -58.64 -85.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.486 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.96 -155.51 8.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.546 ' CD ' HD13 ' A' ' 51' ' ' ILE . 15.5 ttpp -97.69 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 84.0 p -84.69 163.46 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.22 162.4 0.86 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.531 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.2 Cg_endo -75.06 140.16 24.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 79.4 p -53.79 157.47 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -41.88 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.01 117.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.0 169.25 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.57 152.99 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -79.8 101.51 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.598 ' CE2' HG21 ' A' ' 33' ' ' VAL . 2.3 t80 -77.99 105.22 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.7 OUTLIER -99.64 129.34 45.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.8 p -77.56 -172.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.444 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -75.33 142.31 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.65 -170.69 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 67.2 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.49 136.12 0.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.11 165.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -75.7 -65.64 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.556 ' HA ' HD12 ' A' ' 110' ' ' LEU . 24.4 t-20 -135.04 94.32 16.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.89 33.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.6 t -153.26 54.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.9 p -42.2 160.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.45 155.81 23.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -37.42 2.08 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.29 -74.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.82 148.89 41.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.946 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 68.76 153.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.12 170.75 4.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.61 -165.98 18.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.45 107.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.93 142.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.37 -98.77 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.02 17.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.797 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -68.33 -52.89 19.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.635 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -75.02 140.46 25.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 80.21 141.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.99 170.59 20.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 t -94.21 107.99 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 44' ' ' ASN . 3.3 m-85 -74.07 -170.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 14' ' ' TYR . 14.7 m-20 162.43 146.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 100' ' ' SER . 26.9 m -40.77 160.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.1 Cg_endo -75.05 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.783 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' N ' HD22 ' A' ' 18' ' ' ASN . 0.9 OUTLIER -39.5 158.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 147.7 34.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.05 168.03 25.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -149.84 178.23 9.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.78 18.35 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 91' ' ' VAL . 1.5 mp -46.62 145.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.05 169.13 25.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.69 HD11 ' HD2' ' A' ' 89' ' ' PHE . 4.1 mt -135.25 113.09 10.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 ' CG2' ' C ' ' A' ' 25' ' ' LEU . 30.0 p -150.04 129.16 12.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.5 p-10 -145.01 163.21 34.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -136.95 55.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -176.47 111.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.32 80.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.94 -46.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.37 123.08 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' HB3' ' A' ' 27' ' ' ASP . 12.3 p -85.78 145.73 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 131.62 50.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.575 HD22 HD11 ' A' ' 79' ' ' LEU . 9.5 tp -103.93 114.21 28.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -99.44 123.43 43.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.516 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.7 p90 -125.53 163.33 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -124.15 110.78 28.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.95 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.59 -144.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.99 161.81 10.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -111.79 -18.08 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 60.31 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 65.7 m-80 67.32 -60.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.4 t -72.58 115.73 42.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -75.01 157.2 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.712 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -70.72 150.93 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.502 ' H ' HD13 ' A' ' 47' ' ' ILE . 59.8 p -128.96 -36.14 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -145.23 159.74 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.712 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 35.5 m-85 -134.26 109.18 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -88.49 157.2 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -131.11 154.4 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 7.3 mt-10 -145.56 164.03 32.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 12.1 p90 -153.85 157.37 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -130.09 137.71 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 60' ' ' LYS . 34.4 t0 -87.94 96.15 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.07 -18.94 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.8 ttm -81.45 -6.55 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -136.48 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 9.6 mtmt -125.34 94.86 42.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.57 20.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.764 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.04 -16.57 60.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -83.38 95.29 8.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.604 ' CZ3' ' HD3' ' A' ' 90' ' ' ARG . 69.5 m95 -88.88 139.63 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 54.4 m-70 -125.77 179.14 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.633 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.671 ' CE1' HG23 ' A' ' 51' ' ' ILE . 5.4 t-80 -94.8 114.69 26.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.85 -76.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.0 t -161.93 160.13 27.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.1 164.98 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.862 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -141.31 -175.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.58 167.6 21.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.29 18.11 43.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.2 -27.05 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.862 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.1 pt20 -97.63 167.95 10.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p -142.71 14.46 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 72.3 p -137.86 123.43 19.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.71 143.23 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.5 mt-30 -79.44 133.73 36.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.575 HD11 HD22 ' A' ' 35' ' ' LEU . 8.6 mt -114.83 117.44 30.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.96 107.68 13.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -99.09 153.03 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.11 160.73 63.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 146.35 32.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.883 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 23.9 m-85 62.35 71.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.83 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.8 p 176.48 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.79 132.26 52.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.83 ' CD1' HG22 ' A' ' 85' ' ' VAL . 3.7 p90 -163.66 170.25 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 m -104.51 -179.03 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.69 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.5 m-85 -133.15 127.13 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.604 ' HD3' ' CZ3' ' A' ' 64' ' ' TRP . 2.5 ttp180 -108.96 173.85 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 23' ' ' LEU . 49.4 t -153.48 121.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.44 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -117.75 149.88 40.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.15 138.16 53.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.707 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.0 t -130.09 130.48 65.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 57.3 p30 -130.43 -174.61 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -40.05 -47.01 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 14' ' ' TYR . 10.2 mm -58.95 -84.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.74 -157.93 9.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' CD ' HD13 ' A' ' 51' ' ' ILE . 19.7 ttpp -94.58 132.6 39.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 52.0 p -84.11 177.74 8.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -65.31 160.32 59.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.97 142.22 27.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' GLU . 11.7 p -52.77 154.5 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.741 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 17.5 mt-10 -36.15 -80.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 158.84 114.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.501 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -73.56 167.68 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.987 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 152.88 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.353 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -79.44 99.84 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 81' ' ' LEU . 0.8 OUTLIER -77.58 108.13 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 111' ' ' THR . 1.8 tm? -113.4 118.28 34.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.477 ' N ' HD22 ' A' ' 110' ' ' LEU . 21.3 p -75.17 168.11 20.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -59.36 153.85 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.883 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . 171.1 128.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.3 t -71.44 73.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.82 115.29 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.06 39.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 176.33 69.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 51.78 58.98 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.423 ' ND2' ' HG ' ' A' ' 110' ' ' LEU . 6.3 m120 -104.1 157.37 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 34.6 p -70.85 137.59 49.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -105.85 95.1 5.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 51.57 -158.68 2.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 84.08 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 t -110.62 -57.94 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.9 p -128.05 110.16 12.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.36 135.83 16.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.061 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.47 145.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.84 134.14 1.65 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.99 168.45 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -141.14 133.83 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.66 -136.09 2.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 100.82 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.8 p -138.3 90.09 13.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -47.77 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.26 131.78 94.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.2 Cg_endo -75.04 -166.54 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p -132.03 111.46 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 20.6 m-85 -95.29 -166.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.637 ' O ' ' O ' ' A' ' 16' ' ' VAL . 3.8 m-20 155.6 52.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 ' O ' ' O ' ' A' ' 15' ' ' ASP . 28.8 m 49.72 160.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -74.97 121.66 6.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.65 159.69 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -75.0 151.07 39.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.0 170.64 19.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -151.3 -176.15 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.23 20.07 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.6 OUTLIER -42.25 150.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.7 mt-10 -153.41 166.72 31.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 89' ' ' PHE . 3.0 mt -133.15 105.08 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.5 p -143.05 139.37 30.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.25 -170.15 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 177.36 38.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.0 -75.93 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.27 -70.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.51 55.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.2 p -172.27 96.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.727 HG21 ' HE2' ' A' ' 109' ' ' TYR . 6.6 p -82.18 140.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.465 ' NE2' HG22 ' A' ' 76' ' ' THR . 0.9 OUTLIER -102.64 131.0 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 79' ' ' LEU . 28.2 tp -100.08 117.49 34.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.2 p -97.85 124.73 42.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.646 ' CG ' HG11 ' A' ' 91' ' ' VAL . 47.0 p90 -127.32 162.27 26.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 63.5 m -122.24 110.94 32.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -74.99 109.55 2.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.55 -140.9 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.36 161.66 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 2.5 m-20 -112.12 -15.64 13.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 60.07 69.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 44.9 m-80 66.43 -62.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.7 m -71.63 116.83 51.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.98 21.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.864 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -48.74 142.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 19.4 p -122.61 -33.74 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -146.52 158.09 43.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.864 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 33.4 m-85 -134.0 102.73 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.3 mt -89.05 156.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.0 mt -132.42 160.47 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 35.4 mt-10 -153.12 166.73 31.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -149.97 151.41 33.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -119.21 136.54 54.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.25 98.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB2' ' OE2' ' A' ' 55' ' ' GLU . . . -88.21 15.36 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 ttm -102.94 -24.28 13.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -134.31 -67.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -114.74 91.86 27.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.02 25.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 97.32 -27.76 17.1 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.34 97.75 1.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.605 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.1 m95 -84.15 148.48 26.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.025 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -131.99 161.53 32.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.557 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -75.72 119.39 19.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -95.64 -76.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 t -167.83 169.83 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 3.0 pp20? -142.66 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.73 -175.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 172.86 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -85.38 16.04 41.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -126.01 -1.74 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.442 ' C ' ' CG2' ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.54 164.07 14.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 76' ' ' THR . 29.6 p -151.88 17.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 75' ' ' THR . 1.6 p -155.41 123.72 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -133.71 145.57 50.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 3.6 mt-30 -78.23 125.99 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 35' ' ' LEU . 6.1 mt -101.85 122.46 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' C ' HD23 ' A' ' 81' ' ' LEU . 10.0 m120 -83.1 109.51 17.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 87' ' ' TYR . 11.8 mt -105.07 151.03 24.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -124.21 160.0 54.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 141.24 26.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 13.9 m-85 64.25 37.32 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 83' ' ' PRO . 2.8 t -141.81 109.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.242 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.479 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -101.24 145.59 28.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -179.75 174.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.34 -177.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HD2' HD11 ' A' ' 25' ' ' LEU . 31.4 m-85 -136.7 121.95 19.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.605 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 8.9 ptt180 -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.646 HG11 ' CG ' ' A' ' 37' ' ' TRP . 53.3 t -103.92 143.47 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 52' ' ' ILE . 5.8 mtm -126.83 154.28 44.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -124.0 125.01 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.3 t -118.76 134.23 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.504 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.9 p30 -132.29 -167.09 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -34.38 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.468 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 16.0 mm -67.35 -76.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -170.32 -158.84 14.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.485 ' HG3' HG22 ' A' ' 94' ' ' VAL . 17.8 ttpp -97.65 124.09 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 100.0 p -74.57 175.27 7.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -65.99 158.47 75.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HG3' ' NH1' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.99 142.09 27.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' GLU . 52.5 p -46.53 151.83 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 33.2 mt-10 -34.78 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.58 103.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -54.64 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 163.79 27.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -84.9 96.68 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.727 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -87.25 108.92 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' A' ' 119' ' ' ASN . 7.6 tp -108.05 107.09 17.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 81' ' ' LEU . 27.2 p -61.72 171.98 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -113.56 146.22 40.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 84' ' ' TYR . . . -133.39 50.02 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.64 53.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 172.81 127.36 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 164.72 32.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 165.08 137.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 74.99 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.518 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 10.0 m120 59.36 161.47 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.24 3.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.769 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.0 t -42.38 138.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.42 97.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -158.07 151.99 23.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 99.0 p 179.73 162.74 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.0 p -60.53 171.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.96 124.52 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.04 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.53 154.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.942 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 127.95 1.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.42 111.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.6 121.27 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -143.9 3.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 74.91 3.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 p -130.0 90.82 41.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.37 138.94 0.42 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.68 22.09 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 13' ' ' VAL . 3.7 p -136.0 86.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CB ' HD11 ' A' ' 97' ' ' ILE . 93.5 m-85 -73.14 -176.66 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.7 m-20 165.79 50.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.628 ' O ' ' O ' ' A' ' 15' ' ' ASP . 26.9 m 49.83 161.28 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.532 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 123.44 7.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.583 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -45.92 163.85 0.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 148.1 34.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 174.46 12.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -151.65 175.32 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.91 16.67 10.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -50.67 129.85 23.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.2 152.46 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 35' ' ' LEU . 3.4 mm? -97.65 103.61 15.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.1 p -114.36 116.68 29.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.574 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -139.91 -165.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -146.61 -53.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.22 139.21 31.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.63 81.69 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.06 -46.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -129.96 106.5 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 109' ' ' TYR . 10.0 p -89.2 140.88 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -106.6 125.23 50.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 11.1 tp -91.61 126.13 36.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 34' ' ' GLN . 3.7 m -107.95 123.42 48.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.723 ' CG ' HG11 ' A' ' 91' ' ' VAL . 44.6 p90 -127.53 163.59 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 53.4 m -128.13 108.73 19.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.98 108.82 2.81 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.61 -143.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -56.43 156.65 5.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.4 m-20 -106.43 -16.43 14.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.653 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.1 m-80 61.69 67.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.552 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.7 m-80 67.13 -61.6 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -72.92 117.12 57.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 111.055 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.794 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -55.82 143.31 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.5 p -124.07 -32.72 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -143.07 161.47 38.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.794 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 10.7 m-85 -137.19 105.75 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.785 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mp -88.89 151.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mt -130.23 156.43 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . 69.1 mt-10 -152.93 159.79 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 11.0 p90 -148.33 158.45 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -132.07 150.57 52.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 58' ' ' MET . 59.1 t0 -98.38 106.66 18.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.52 -9.51 58.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 7.0 ttm -87.9 -6.92 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 79.3 m80 -139.96 -77.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mtmt -114.44 93.36 31.67 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 138.2 22.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 98.41 -29.1 12.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.76 113.95 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 82.2 m95 -102.96 143.88 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -125.83 150.75 47.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.59 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -68.34 104.23 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.555 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -78.02 -75.68 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.7 t -172.18 155.76 3.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.6 pp20? -121.46 168.42 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.939 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -145.9 -175.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 170.31 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.46 28.46 8.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -43.07 2.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 110.442 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.939 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.5 pt20 -76.96 158.31 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -137.37 17.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.3 p -138.83 115.88 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.55 139.7 52.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.607 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -78.43 136.56 37.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 78' ' ' GLN . 13.3 mt -117.7 142.64 47.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.08 111.87 23.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' A' ' 109' ' ' TYR . 16.6 mt -110.25 158.86 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.84 168.16 17.65 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.623 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 134.32 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.623 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 10.0 m-85 64.36 65.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.553 ' HB ' ' CE2' ' A' ' 87' ' ' TYR . 1.6 t -153.38 94.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -86.32 122.89 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.553 ' CE2' ' HB ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -162.28 175.56 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.547 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 50.9 m -115.69 -177.96 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 88' ' ' SER . 40.9 m-85 -150.53 131.8 14.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -122.78 -179.2 4.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.819 HG23 HD21 ' A' ' 23' ' ' LEU . 85.7 t -146.42 135.96 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 3.2 mtm -120.01 153.33 36.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.61 140.27 51.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.785 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -136.69 129.21 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 33.9 p30 -132.05 -171.5 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.2 m -39.6 -41.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.0 mm -63.3 -101.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.566 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -147.51 -153.7 6.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.627 ' HE2' HD13 ' A' ' 51' ' ' ILE . 27.7 ttmt -102.06 127.68 48.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 23.5 p -80.63 172.09 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.91 162.48 16.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.49 27.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.487 ' OG ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -51.14 161.51 0.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.724 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 3.4 mt-10 -38.46 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.48 100.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.824 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -54.12 164.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 148.77 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -75.94 103.6 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.737 ' CE2' HG21 ' A' ' 33' ' ' VAL . 1.6 t80 -76.98 133.6 39.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 119' ' ' ASN . 1.9 mt -132.72 119.2 20.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.0 p -70.75 -170.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -74.29 126.55 30.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.617 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -133.4 -166.73 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.7 59.38 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 175.02 147.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t0 61.45 116.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -118.79 101.71 50.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 122' ' ' SER . 18.5 Cg_endo -74.98 -179.84 5.37 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 99.2 m 63.47 -77.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.448 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -113.83 90.61 3.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -130.68 -155.75 8.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.552 1.817 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 39.63 82.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p -176.07 92.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.6 -57.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p -84.5 163.79 19.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.23 125.1 4.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -168.55 112.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -172.33 139.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.9 -69.28 0.2 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.794 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.02 104.2 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.457 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -64.08 -54.16 42.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.98 -64.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -40.75 138.86 1.23 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -167.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.0 t -151.65 137.49 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CB ' HD11 ' A' ' 97' ' ' ILE . 22.4 m-85 -112.17 -172.61 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 165.9 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.63 ' O ' ' O ' ' A' ' 15' ' ' ASP . 31.0 m 49.99 161.27 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.98 122.34 7.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -45.72 163.74 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.03 150.64 38.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 168.69 24.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -146.92 176.52 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER 67.27 10.17 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.5 OUTLIER -39.71 131.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.39 156.13 31.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD11 ' HD2' ' A' ' 89' ' ' PHE . 2.4 mt -110.92 111.54 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -135.28 111.94 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.583 ' CG ' HG23 ' A' ' 33' ' ' VAL . 1.9 p-10 -148.52 -160.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -146.29 8.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER 67.88 14.73 9.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -177.28 33.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.664 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 5.2 t 144.31 -107.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.766 HG21 ' HE2' ' A' ' 109' ' ' TYR . 1.3 p -166.36 177.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' H ' HG22 ' A' ' 33' ' ' VAL . 20.2 tt0 -143.66 133.93 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.889 HD22 HD11 ' A' ' 79' ' ' LEU . 55.3 tp -104.6 123.0 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -107.27 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CG ' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -121.64 163.06 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 9.4 m -129.3 112.76 18.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.04 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.68 -140.0 0.35 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.52 149.35 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 2.8 m-20 -103.0 -17.18 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.576 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.4 m-80 60.63 69.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 25.3 m-80 66.0 -62.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.6 t -71.92 116.91 53.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -75.04 150.81 38.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -62.51 142.48 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' GLY . 61.2 p -124.43 -33.45 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -144.22 156.38 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.894 ' CE2' HG21 ' A' ' 47' ' ' ILE . 27.9 m-85 -134.82 103.67 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.825 HD12 HG21 ' A' ' 94' ' ' VAL . 3.6 mt -88.6 154.17 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.7 mp -131.71 154.81 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -148.52 170.99 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -154.19 160.25 41.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.81 137.38 51.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' LYS . 48.1 t0 -87.31 96.04 10.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -77.25 -17.14 58.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 36.0 ttm -77.57 -14.37 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 65.3 m80 -130.19 -70.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -125.59 97.14 36.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 134.73 18.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.13 -23.19 35.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.83 99.81 6.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 73.0 m95 -86.82 144.81 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -131.73 153.88 49.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.46 122.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -98.71 -76.5 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -168.82 162.61 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.4 OUTLIER -129.22 163.82 24.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.93 -176.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.72 170.43 14.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.12 33.57 4.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.13 -45.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.505 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.4 pt20 -77.72 143.52 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 p -119.74 14.86 12.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 46.6 p -135.78 130.17 33.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.68 137.99 32.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.503 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -69.23 128.75 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.889 HD11 HD22 ' A' ' 35' ' ' LEU . 4.9 mt -105.28 113.77 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.483 ' C ' HD23 ' A' ' 81' ' ' LEU . 5.3 m-80 -75.71 108.54 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 80' ' ' ASN . 9.2 mt -105.65 156.38 18.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.454 ' O ' HG21 ' A' ' 111' ' ' THR . 0.5 OUTLIER -128.77 160.75 61.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 143.67 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 18.7 m-85 62.87 76.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.841 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.4 p 176.48 116.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -106.1 136.55 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.841 ' CD1' HG22 ' A' ' 85' ' ' VAL . 5.3 p90 -167.71 175.45 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.417 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 2.8 p -111.34 -178.82 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' HD2' HD11 ' A' ' 25' ' ' LEU . 40.2 m-85 -135.25 121.88 20.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -119.8 138.84 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG11 ' CG ' ' A' ' 37' ' ' TRP . 99.6 t -111.45 145.47 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.43 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 5.0 mtm -130.33 153.28 48.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.514 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -121.77 128.32 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.825 HG21 HD12 ' A' ' 51' ' ' ILE . 2.8 t -123.55 130.73 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 97' ' ' ILE . 54.9 p30 -132.25 -167.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.03 -44.19 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' CB ' ' A' ' 14' ' ' TYR . 5.6 mm -59.06 -86.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -163.38 -155.89 8.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 94' ' ' VAL . 11.5 ttmt -98.62 127.36 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.2 p -78.14 179.01 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.5 162.18 58.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 146.23 32.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 104' ' ' GLU . 25.0 p -56.22 153.87 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.69 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -36.89 -84.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.97 106.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.95 170.15 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -92.48 97.61 10.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -81.81 108.61 15.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.1 OUTLIER -101.31 104.96 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 82' ' ' SER . 61.1 p -57.1 -177.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.399 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.98 157.33 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.596 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -175.58 -157.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.48 42.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 0.0 OUTLIER 172.57 136.02 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 115' ' ' GLU . 18.3 Cg_endo -75.02 -91.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.61 -172.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.64 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.611 ' HA ' HD12 ' A' ' 110' ' ' LEU . 6.1 t-20 -117.57 80.34 13.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 152.85 41.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 t -168.63 127.64 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.6 p -85.31 107.12 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -152.7 -159.79 9.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.78 30.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 m -139.89 110.86 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.7 t -39.44 145.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.073 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.83 128.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.26 167.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.26 143.64 5.55 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -128.67 149.24 50.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -49.33 164.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.22 102.58 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.98 127.54 10.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.3 t -175.38 124.06 0.35 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -75.01 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -169.21 137.26 1.58 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.2 Cg_endo -75.0 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.61 85.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CB ' HD11 ' A' ' 97' ' ' ILE . 96.0 m-85 -72.36 -173.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' HG22 ' A' ' 16' ' ' VAL . 2.5 m-20 163.8 51.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.6 m 50.29 161.58 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -74.98 120.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.497 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -43.14 163.27 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.0 147.45 33.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.0 171.15 18.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.93 174.58 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' ' 106' ' ' SER . 2.5 mp -50.55 132.45 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 149.1 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 HD13 ' A' ' 35' ' ' LEU . 3.9 mm? -100.8 110.0 22.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -125.35 115.66 20.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.613 ' HB3' HG23 ' A' ' 33' ' ' VAL . 1.1 p-10 -146.01 167.85 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -136.03 19.41 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -129.34 -167.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -122.94 -40.08 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -37.87 -57.6 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -148.37 178.52 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG23 ' HB3' ' A' ' 27' ' ' ASP . 12.2 p -125.26 137.15 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -86.68 127.12 34.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 79' ' ' LEU . 10.1 tp -99.39 114.49 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -96.17 126.46 41.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.708 ' HB3' HG21 ' A' ' 91' ' ' VAL . 37.5 p90 -129.41 161.22 30.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 108.04 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 22.2 m -126.42 109.1 23.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.443 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -74.93 108.27 2.67 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.18 -144.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.3 154.84 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.46 -16.08 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.645 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.1 m-80 60.58 67.01 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 71.8 m-80 67.87 -60.97 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.491 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.4 m -72.81 116.33 49.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.1 33.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.802 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -60.32 143.21 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLY . 47.9 p -125.06 -32.46 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -142.1 159.04 43.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.802 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 9.7 m-85 -135.4 106.76 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.25 155.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mt -131.7 158.11 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -154.37 159.18 41.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . 12.3 p90 -145.91 159.86 42.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -135.63 150.18 49.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -99.75 107.01 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -15.57 56.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ttp -85.96 -16.64 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -120.25 -74.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -128.12 98.14 27.51 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.19 17.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.74 -23.53 32.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.34 115.64 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.603 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 66.6 m95 -104.46 138.67 40.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.63 147.93 45.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.595 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -64.82 108.72 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -85.61 -76.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 159.44 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 1.5 pp20? -124.91 166.52 16.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.622 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.1 -179.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.57 171.95 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.058 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -92.29 15.34 62.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 -22.92 12.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.622 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -98.38 170.2 9.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -149.02 19.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -148.51 125.72 11.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.64 145.72 43.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 79' ' ' LEU . 45.3 mt-30 -74.99 142.48 43.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 HD22 ' A' ' 35' ' ' LEU . 13.6 mt -119.58 134.8 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' C ' HD23 ' A' ' 81' ' ' LEU . 2.8 m120 -89.87 108.49 19.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.928 HD12 ' CE1' ' A' ' 109' ' ' TYR . 8.4 mt -106.76 143.67 34.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.31 157.56 43.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.95 140.1 25.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 113' ' ' ALA . 17.5 m-85 65.3 72.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.5 p 177.25 109.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -93.09 138.62 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -167.68 168.12 12.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.454 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -109.76 -178.7 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 41.7 m-85 -149.48 128.88 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.0 ptt180 -123.2 175.99 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.708 HG21 ' HB3' ' A' ' 37' ' ' TRP . 91.7 t -137.54 143.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.426 ' SD ' ' C ' ' A' ' 91' ' ' VAL . 4.0 mpp? -127.43 152.44 47.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.658 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -120.7 140.86 51.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.9 t -135.97 129.32 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.491 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.1 p30 -127.23 -168.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.11 -41.39 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.686 HD11 ' CB ' ' A' ' 14' ' ' TYR . 2.7 mm -59.74 -83.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -164.46 -154.89 8.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.629 ' HG3' HG22 ' A' ' 94' ' ' VAL . 19.4 ttmt -99.98 134.69 42.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 85.6 p -84.48 176.63 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -65.46 160.1 62.04 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.7 p -45.78 150.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 26.6 mt-10 -38.96 -74.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.39 118.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.688 ' HB3' HD23 ' A' ' 23' ' ' LEU . 7.9 p -67.15 162.01 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.36 153.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -74.46 96.03 2.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.928 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.5 t80 -92.06 111.68 23.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 111' ' ' THR . 5.9 tp -113.13 133.97 54.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.734 ' N ' HD12 ' A' ' 110' ' ' LEU . 75.3 p -77.39 179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -71.13 154.81 41.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.604 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -170.59 68.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.44 44.7 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -174.22 132.52 0.53 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 117' ' ' ASP . 18.2 Cg_endo -74.99 -169.24 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 116' ' ' PRO . 2.0 t70 76.26 148.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -106.08 78.35 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 68.92 132.51 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.27 42.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 m -109.07 138.1 45.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.89 153.4 5.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.81 154.19 25.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.3 p -132.22 133.7 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 t -86.14 -61.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.33 161.84 14.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.22 126.27 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.9 163.04 34.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -115.48 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.46 98.9 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.25 -129.29 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' O ' ' HB ' ' A' ' 9' ' ' THR . 18.2 Cg_endo -75.03 126.49 9.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 8' ' ' PRO . 9.0 t -175.61 124.14 0.34 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 93.17 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.18 138.64 3.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -75.01 -165.86 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.433 1.754 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.5 p -135.4 112.61 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 44' ' ' ASN . 29.0 m-85 -97.17 -165.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 4.4 m-20 157.44 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 33.6 m 49.66 161.78 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.07 120.82 6.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.475 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -44.59 163.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.4 Cg_endo -74.97 144.38 30.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.2 Cg_endo -75.04 171.66 17.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.81 175.79 12.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.01 14.88 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.004 HD21 HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -50.58 130.12 23.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 151.62 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.784 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? -100.5 111.83 24.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -129.86 114.39 15.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' HA ' ' A' ' 33' ' ' VAL . 1.4 p-10 -144.4 148.79 35.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -153.41 46.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -119.09 -76.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m-20 152.47 -49.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -39.53 -63.92 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.32 -169.84 2.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 9.2 p -104.03 158.37 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.769 ' NE2' HG22 ' A' ' 76' ' ' THR . 1.5 tm0? -120.06 128.47 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.7 tp -90.98 118.06 30.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.407 ' OG ' ' NE2' ' A' ' 34' ' ' GLN . 1.3 m -99.88 127.97 46.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.683 ' CG ' HG11 ' A' ' 91' ' ' VAL . 28.5 p90 -134.28 160.99 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 8.7 m -127.36 112.04 21.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.29 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 39' ' ' PRO . . . -60.09 -139.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.83 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.99 -17.43 14.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.4 m-80 60.69 68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 41.7 m-80 66.03 -61.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.2 m -71.71 116.46 48.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 143.22 28.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.806 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.87 142.96 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLY . 40.5 p -122.85 -33.63 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -144.7 160.14 41.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.806 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 17.0 m-85 -134.46 107.26 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -88.68 153.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 ' CH2' ' A' ' 37' ' ' TRP . 3.7 mt -133.1 155.03 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 11.8 mt-10 -150.63 171.11 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -158.49 160.21 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -134.84 147.59 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -91.5 93.84 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.96 -3.7 40.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 25.7 ttm -95.95 -4.56 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 41.5 m80 -140.6 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.77 91.68 28.86 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 122.82 7.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.75 -21.76 13.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.541 1.151 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 tp -80.62 101.48 9.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 74.4 m95 -92.64 139.85 30.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -128.63 140.12 51.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -53.07 123.2 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -97.94 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -171.52 152.8 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 pp20? -121.81 161.58 22.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.9 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.16 -175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 169.66 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -90.57 22.71 26.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.23 -34.29 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.9 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.9 pt20 -89.72 160.12 16.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -139.45 22.68 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.769 HG22 ' NE2' ' A' ' 34' ' ' GLN . 8.1 p -145.13 118.0 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.27 137.83 52.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.566 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.28 137.1 50.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 78' ' ' GLN . 7.7 mt -115.4 125.03 52.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.558 ' C ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -87.82 107.83 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.925 HD12 ' CE1' ' A' ' 109' ' ' TYR . 5.9 mt -103.52 161.23 14.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 163.33 48.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.589 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 145.18 31.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 1.173 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 20.7 m-85 62.32 73.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.854 HG22 ' CD1' ' A' ' 87' ' ' TYR . 2.6 p 175.79 112.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.46 ' OD1' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -105.5 133.05 50.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.854 ' CD1' HG22 ' A' ' 85' ' ' VAL . 4.7 p90 -165.17 164.04 20.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 m -103.95 -177.78 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.784 ' HD2' HD21 ' A' ' 25' ' ' LEU . 29.7 m-85 -137.2 128.38 27.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.571 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -121.22 144.44 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 1.004 HG23 HD21 ' A' ' 23' ' ' LEU . 98.2 t -117.27 144.52 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.9 mpp? -130.24 154.66 47.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.73 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -123.04 140.55 52.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.7 t -134.76 133.95 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 53.6 p30 -131.79 -169.82 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -50.32 -37.74 38.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.423 ' HB ' ' OD1' ' A' ' 95' ' ' ASN . 6.9 mm -63.86 -82.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.94 -159.26 11.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.56 ' CD ' HD13 ' A' ' 51' ' ' ILE . 20.6 ttpp -97.09 143.29 28.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 88.3 p -96.27 164.97 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.86 163.34 1.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.46 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 18.4 Cg_endo -74.95 135.42 19.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 79.0 p -43.78 159.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.736 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 31.9 mt-10 -37.9 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.08 90.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.633 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 156.47 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.41 95.99 5.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.925 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.1 t80 -79.82 130.8 35.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.46 HD22 ' OD1' ' A' ' 86' ' ' ASN . 30.4 tp -132.48 134.96 45.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.4 p -87.06 173.1 9.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -76.82 128.79 35.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 1.173 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -145.49 68.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.59 37.9 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -170.18 132.09 0.99 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.56 172.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.15 85.26 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.454 ' HA ' HD23 ' A' ' 110' ' ' LEU . 15.0 t-20 59.48 101.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.8 p -78.81 88.27 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.2 m -90.55 118.01 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.4 158.23 1.27 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 121.84 6.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -127.3 121.6 31.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.048 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 71.3 p -49.72 112.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -170.79 164.82 7.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 p -175.26 173.94 2.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.38 121.98 0.62 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.21 130.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.051 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.23 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.78 155.1 31.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.71 13.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -57.71 -53.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.67 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -74.98 148.21 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 82.39 136.34 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.05 -170.25 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG2' ' C ' ' A' ' 12' ' ' PRO . 2.0 t -151.93 136.33 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CB ' HD11 ' A' ' 97' ' ' ILE . 21.1 m-85 -117.64 -172.58 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.625 ' O ' ' O ' ' A' ' 16' ' ' VAL . 1.8 m-20 164.23 52.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.625 ' O ' ' O ' ' A' ' 15' ' ' ASP . 30.2 m 49.79 162.57 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 18.2 Cg_endo -75.07 121.27 6.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.94 164.56 0.15 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.01 170.08 21.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -151.95 179.32 8.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.65 14.78 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.5 OUTLIER -48.25 133.11 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 149.17 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.5 mm? -101.27 123.29 45.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -142.34 116.58 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 33' ' ' VAL . 3.1 p-10 -143.92 155.45 44.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -117.88 -3.12 11.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.76 147.56 38.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.13 81.93 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.61 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -134.59 115.35 13.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 109' ' ' TYR . 8.2 p -82.08 143.17 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -96.73 131.51 43.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' HA ' HD13 ' A' ' 25' ' ' LEU . 9.2 tp -100.58 113.96 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.2 m -97.29 117.35 31.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CG ' HG11 ' A' ' 91' ' ' VAL . 46.0 p90 -120.87 162.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 107.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 47.0 m -126.87 112.08 22.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -74.98 106.44 2.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.71 -145.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.082 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.5 153.73 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' SER . 1.1 m-20 -105.24 -17.4 14.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.5 m-80 60.47 68.47 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 13.4 m-80 66.66 -61.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 43' ' ' ASN . 40.3 t -72.48 117.19 56.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.22 43.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.792 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -69.14 145.4 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLY . 69.0 p -125.49 -34.28 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -142.23 158.81 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.792 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 12.0 m-85 -134.02 107.36 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.817 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mt -88.95 154.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.9 mt -131.58 154.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -148.12 169.83 19.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' SER . 9.1 p90 -158.2 159.04 35.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' HG2' ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -136.98 150.91 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.3 t0 -99.34 103.96 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -73.79 -28.0 61.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.0 ttm -75.46 -13.5 60.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.407 ' ND1' ' OD2' ' A' ' 56' ' ' ASP . 21.9 m80 -119.97 -67.1 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mmmt -139.28 97.07 8.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.69 2.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.54 -23.2 4.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.2 tp -80.65 108.32 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CG ' ' NH1' ' A' ' 90' ' ' ARG . 64.4 m95 -99.09 140.9 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -125.71 152.55 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.6 116.15 6.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.08 -76.79 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -168.86 159.34 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.4 pp20? -127.88 163.29 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.914 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -139.39 -175.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.82 168.85 17.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.3 23.31 19.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 -38.19 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.914 ' NE2' HG11 ' A' ' 70' ' ' VAL . 7.1 pt20 -85.68 158.55 20.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.9 p -136.16 19.09 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 69.0 p -142.98 128.73 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.45 149.76 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.3 mt-30 -79.35 141.0 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 78' ' ' GLN . 10.5 mt -117.52 125.31 50.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' C ' HD23 ' A' ' 81' ' ' LEU . 15.8 p-10 -79.27 108.68 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 109' ' ' TYR . 13.0 mt -108.35 147.02 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.44 160.97 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.94 137.18 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.879 ' CD1' ' HB1' ' A' ' 113' ' ' ALA . 12.2 m-85 64.91 79.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.801 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.4 p 173.43 103.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.666 ' HB2' HD11 ' A' ' 110' ' ' LEU . 15.7 t30 -86.79 147.9 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.801 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -177.61 171.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -112.3 -178.86 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' HZ ' HD22 ' A' ' 81' ' ' LEU . 42.2 m-85 -148.03 125.25 11.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH1' ' CG ' ' A' ' 64' ' ' TRP . 2.4 ptt180 -118.96 -177.84 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.84 HG11 ' CG ' ' A' ' 37' ' ' TRP . 89.0 t -144.58 145.28 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 102' ' ' PRO . 3.8 mpp? -129.51 154.27 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.58 141.5 51.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.817 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.8 t -137.73 130.87 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 48.4 p30 -132.92 -171.33 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.4 m -42.01 -50.0 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.3 mm -52.27 -91.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -157.73 -155.96 7.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.653 ' HG3' HG22 ' A' ' 94' ' ' VAL . 26.9 ttmt -100.16 133.67 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.3 p -84.62 175.22 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.53 162.25 58.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.522 ' CB ' ' CZ ' ' A' ' 90' ' ' ARG . 18.2 Cg_endo -75.03 136.13 19.94 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.432 ' HB3' ' O ' ' A' ' 91' ' ' VAL . 0.3 OUTLIER -50.34 158.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 2.0 mt-10 -42.29 -77.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 159.39 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.745 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -62.72 163.46 9.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.46 150.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.54 96.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 81' ' ' LEU . 3.8 t80 -89.13 117.71 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 119' ' ' ASN . 0.9 OUTLIER -122.17 125.98 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.559 HG22 ' HE1' ' A' ' 109' ' ' TYR . 61.7 p -71.15 -176.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -78.97 160.07 27.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.879 ' HB1' ' CD1' ' A' ' 84' ' ' TYR . . . -178.12 125.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.8 82.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.34 150.0 0.98 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 117' ' ' ASP . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.763 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' PRO . 6.3 m-20 47.25 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 119' ' ' ASN . 0.0 OUTLIER -67.66 -82.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.675 ' HA ' HD13 ' A' ' 110' ' ' LEU . 0.6 OUTLIER 34.0 75.13 0.47 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.4 9.99 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.7 m 63.0 -82.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.92 161.46 35.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.35 161.31 13.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.15 4.81 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.71 117.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.01 114.57 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t 64.26 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 110.047 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.5 m 70.71 157.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.58 -179.84 43.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.79 136.09 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -46.72 153.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.33 176.32 19.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.73 81.53 13.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -75.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -63.12 139.99 97.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.1 Cg_endo -75.09 167.08 27.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.962 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.48 84.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 97' ' ' ILE . 60.0 m-85 -72.83 -171.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 16' ' ' VAL . 10.3 m-20 164.59 51.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.1 m 49.85 162.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -74.97 125.18 9.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.614 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -48.05 162.85 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.3 Cg_endo -75.02 148.53 35.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.98 176.0 10.48 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -151.75 177.64 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.97 28.66 16.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD21 HG23 ' A' ' 91' ' ' VAL . 0.8 OUTLIER -62.53 131.45 49.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -161.8 147.81 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.769 HD21 ' HD2' ' A' ' 89' ' ' PHE . 3.1 mm? -97.97 127.63 44.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 25' ' ' LEU . 73.9 p -150.4 118.98 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.362 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' CG ' HG23 ' A' ' 33' ' ' VAL . 18.3 p-10 -144.37 153.5 42.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -115.96 17.32 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.2 141.86 44.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.59 81.6 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -58.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 100.02 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.483 HG22 ' H ' ' A' ' 34' ' ' GLN . 7.1 p -57.62 169.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -123.54 136.34 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.683 ' HA ' HD13 ' A' ' 25' ' ' LEU . 4.2 tp -104.92 112.99 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -96.12 125.51 40.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.5 p90 -133.44 162.44 31.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 97.3 m -130.15 113.62 17.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.0 120.67 6.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.17 -138.81 0.63 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.78 156.14 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -106.38 -15.61 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.614 HD21 ' ND2' ' A' ' 18' ' ' ASN . 1.3 m-80 60.7 67.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 69.1 m-80 67.7 -60.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.486 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 3.3 m -73.28 117.39 59.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.9 23.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.825 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -52.8 142.71 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 20.6 p -123.22 -33.26 3.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -145.4 161.87 38.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 47' ' ' ILE . 29.6 m-85 -137.68 103.51 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.831 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -89.19 157.37 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.446 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 3.1 mt -129.45 160.36 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.491 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 20.9 mt-10 -152.51 157.59 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -146.13 162.36 38.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' HG2' ' CZ2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -137.4 146.76 44.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -94.87 95.95 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.79 -22.94 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 4.1 ttp -80.45 -10.63 59.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -129.83 -71.37 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -121.71 91.78 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.81 8.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.67 -24.24 24.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -78.72 110.2 13.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 86.1 m95 -101.38 133.29 46.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' HD22 ' A' ' 63' ' ' LEU . 21.4 m-70 -122.58 147.42 46.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.638 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.3 132.1 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.68 -68.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.0 t -173.16 156.11 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.9 pt-20 -128.07 162.0 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.911 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.36 -175.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.24 169.3 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.38 23.39 19.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.11 -38.06 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.911 ' NE2' HG11 ' A' ' 70' ' ' VAL . 7.1 pt20 -85.81 166.26 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -143.44 18.36 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 34.7 p -138.3 120.24 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.25 147.32 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -79.08 134.34 36.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 78' ' ' GLN . 7.3 mt -109.64 127.92 54.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' C ' HD23 ' A' ' 81' ' ' LEU . 1.4 m-20 -88.53 109.53 20.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 109' ' ' TYR . 10.3 mt -105.86 147.53 28.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.63 159.91 48.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.595 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 139.43 24.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.796 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.602 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 12.7 m-85 64.3 72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.771 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.3 p 177.47 118.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.464 HD21 ' NE2' ' A' ' 108' ' ' GLN . 53.8 t30 -103.81 146.45 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.771 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -176.18 165.75 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -108.59 -179.09 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' HD2' HD21 ' A' ' 25' ' ' LEU . 21.1 m-85 -134.88 122.42 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.566 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -118.7 129.42 55.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.836 HG23 HD21 ' A' ' 23' ' ' LEU . 66.1 t -100.81 141.62 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 3.7 mtm -124.93 154.52 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -121.0 135.33 55.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.831 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.64 131.81 66.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 54.8 p30 -132.63 -167.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.06 -42.36 49.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.657 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.4 mm -60.65 -80.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.79 -159.32 14.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.6 ttpp -94.05 134.43 36.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.4 p -87.67 177.72 6.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.22 162.37 61.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.03 142.59 27.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 17.2 p -50.34 161.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.679 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -35.68 -81.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.24 89.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.58 ' HB3' HD23 ' A' ' 23' ' ' LEU . 1.2 p -47.16 161.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 146.54 4.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.464 ' NE2' HD21 ' A' ' 86' ' ' ASN . 10.8 mt-30 -70.78 96.07 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -79.84 115.26 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -124.73 114.82 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.9 p -65.3 -173.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.96 161.61 29.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.602 ' HB1' ' CZ ' ' A' ' 84' ' ' TYR . . . -172.45 77.58 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.59 68.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -173.91 143.87 0.98 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.65 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.64 95.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -93.99 65.08 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 65.84 125.71 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.94 24.81 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 121' ' ' THR . 15.1 t -162.49 60.97 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.63 92.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.92 -151.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.9 t 53.22 88.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p 45.27 84.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -171.77 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p 57.88 160.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 175.23 17.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 m -66.27 167.74 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -140.46 -70.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.86 -133.83 34.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.15 17.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 9' ' ' THR . 6.3 t -142.78 58.26 6.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.47 134.98 5.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -168.11 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.3 t -147.2 135.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CB ' HD11 ' A' ' 97' ' ' ILE . 25.5 m-85 -116.87 -174.36 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 2.1 m-20 164.32 50.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.8 m 49.49 162.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 118.46 5.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -42.35 164.19 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.5 33.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.81 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HG3' HG12 ' A' ' 91' ' ' VAL . 18.4 Cg_endo -75.03 168.61 24.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -151.15 177.87 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.07 30.44 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 106' ' ' SER . 2.2 mp -60.28 131.94 52.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -158.85 148.47 19.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.0 mm? -103.05 135.48 44.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -150.8 113.64 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -147.0 169.26 19.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -121.34 -40.7 2.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.35 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.5 81.24 8.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.96 106.79 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' GLN . 10.0 p -84.26 159.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -115.85 134.64 54.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 25' ' ' LEU . 8.0 tp -107.75 112.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.5 m -97.68 116.55 30.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.677 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.2 p90 -116.8 162.96 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 98.3 m -126.32 107.28 24.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.349 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.1 Cg_endo -75.08 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.41 -144.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.0 158.66 6.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -109.23 -16.09 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.7 m-80 59.96 68.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.0 m-80 66.53 -62.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 43' ' ' ASN . 41.0 t -72.01 116.11 45.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.4 Cg_endo -74.97 156.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.839 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -70.55 145.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' GLY . 42.0 p -125.33 -32.9 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 1.5 ttpt -144.39 157.31 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.839 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.6 m-85 -134.67 107.33 7.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.809 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.7 mp -87.77 151.39 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.1 mp -125.16 153.92 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -148.55 162.38 39.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -148.62 159.57 43.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -128.14 133.16 48.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -84.98 92.66 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -69.61 -26.55 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.6 ttm -73.73 -26.97 60.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -108.15 -69.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -136.42 101.69 9.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.01 136.31 20.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.13 -22.86 37.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' HE3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -80.3 106.99 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 62.3 m95 -94.7 136.46 34.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CE1' HD22 ' A' ' 63' ' ' LEU . 26.3 m-70 -126.28 150.67 48.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 51' ' ' ILE . 3.5 t-80 -64.34 125.84 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.64 -75.21 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -164.65 163.48 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 2.3 pp20? -130.97 164.43 25.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.524 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -138.64 -175.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.38 170.06 15.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -88.92 32.67 4.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.83 -43.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.524 ' NE2' HG11 ' A' ' 70' ' ' VAL . 13.1 pt20 -79.15 143.0 35.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -119.2 16.17 13.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 49.0 p -139.41 129.92 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -139.64 150.46 44.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.531 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.7 mt-30 -82.26 134.77 35.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 78' ' ' GLN . 8.6 mt -113.41 136.02 53.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -90.33 109.83 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.672 ' HB3' HG21 ' A' ' 111' ' ' THR . 27.9 mt -107.06 159.72 16.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.51 161.22 64.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.599 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.04 141.64 26.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.599 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 16.0 m-85 63.81 74.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.768 HG22 ' CD2' ' A' ' 87' ' ' TYR . 2.2 p -179.47 123.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.442 ' CG ' ' ND2' ' A' ' 119' ' ' ASN . 11.5 t-20 -106.38 147.08 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.768 ' CD2' HG22 ' A' ' 85' ' ' VAL . 0.4 OUTLIER 179.03 -179.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -178.37 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.664 ' HD2' HD21 ' A' ' 25' ' ' LEU . 26.2 m-85 -130.87 121.34 25.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 64' ' ' TRP . 2.5 ttp180 -109.22 158.82 17.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.677 HG11 ' CG ' ' A' ' 37' ' ' TRP . 76.4 t -137.33 135.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.3 mtm -125.3 153.0 43.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' CB ' ' HG2' ' A' ' 17' ' ' PRO . . . -119.08 137.8 53.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.809 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.4 t -133.14 128.95 56.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 56.4 p30 -132.82 -169.34 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -46.6 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.535 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.6 mm -56.64 -87.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -161.09 -154.56 7.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.666 ' HG3' HG22 ' A' ' 94' ' ' VAL . 7.5 ttmt -102.69 119.26 38.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 47.9 p -69.38 178.03 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -69.77 161.93 71.3 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.4 Cg_endo -74.99 144.54 30.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 p -55.25 157.81 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 24.5 mt-10 -39.32 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 162.12 115.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.601 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.4 t -56.28 165.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 155.01 22.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.407 ' NE2' ' OD1' ' A' ' 86' ' ' ASN . 7.2 mt-30 -78.31 96.73 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 110' ' ' LEU . 1.3 t80 -105.42 122.25 45.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.888 HD22 ' HA ' ' A' ' 119' ' ' ASN . 29.1 tp -98.26 157.64 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.672 HG21 ' HB3' ' A' ' 81' ' ' LEU . 61.6 p -124.19 135.17 53.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.723 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 0.4 OUTLIER 38.04 -145.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 112' ' ' LYS . . . 86.49 151.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.66 74.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.47 113.08 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 117' ' ' ASP . 18.3 Cg_endo -74.98 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 116' ' ' PRO . 9.0 t0 79.92 15.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 117' ' ' ASP . 0.0 OUTLIER 43.08 92.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.888 ' HA ' HD22 ' A' ' 110' ' ' LEU . 6.1 t-20 60.93 121.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.558 1.82 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -164.8 171.66 13.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.94 106.95 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -144.01 -160.19 8.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.2 t -164.49 130.8 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 t -148.98 137.27 20.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -177.25 138.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.33 166.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.67 -95.48 1.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t 66.6 -75.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 62.36 111.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.1 140.09 15.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.094 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 150.33 37.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -61.09 -54.05 57.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.1 Cg_endo -75.06 156.98 42.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.497 1.788 . . . . 0.0 110.96 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.29 143.52 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 14' ' ' TYR . 18.3 Cg_endo -74.99 -169.65 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 7.7 p -130.6 117.75 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CB ' HD11 ' A' ' 97' ' ' ILE . 33.2 m-85 -102.69 -169.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 16' ' ' VAL . 7.2 m-20 159.18 52.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' O ' ' A' ' 15' ' ' ASP . 27.0 m 49.62 162.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.4 Cg_endo -75.0 122.72 7.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.76 163.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.03 147.21 33.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 175.51 11.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 32.5 p90 -151.51 176.68 11.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 25.22 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD21 HG23 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -58.9 134.15 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' C ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -161.46 154.87 21.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.648 HD23 ' OE2' ' A' ' 107' ' ' GLU . 1.9 mm? -106.85 132.83 52.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 25' ' ' LEU . 22.5 p -152.44 115.92 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.21 -173.91 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -131.86 -44.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.9 120.0 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.41 90.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.47 -61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 87.82 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.805 ' CG1' HD11 ' A' ' 81' ' ' LEU . 12.0 p -67.57 150.76 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -106.02 128.11 53.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 89' ' ' PHE . 41.7 tp -106.23 114.07 27.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -97.23 119.09 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.783 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.6 p90 -122.21 163.95 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.487 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 55.2 m -125.86 110.76 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.2 Cg_endo -75.02 117.09 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.82 -139.84 0.84 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -58.37 155.4 11.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -107.43 -16.29 14.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.8 m-80 59.45 68.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 35.0 m-80 66.65 -61.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 m -71.21 114.35 26.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.2 Cg_endo -74.98 141.33 26.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -54.01 142.9 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.481 ' H ' ' HG1' ' A' ' 48' ' ' THR . 37.6 p -122.86 -33.56 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE3' HD11 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -145.62 160.4 41.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.818 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.9 m-85 -136.16 103.71 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.759 ' CD1' HG21 ' A' ' 94' ' ' VAL . 3.0 mt -88.72 152.04 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.485 HG12 HG22 ' A' ' 91' ' ' VAL . 2.8 mp -130.54 161.0 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 90' ' ' ARG . 23.8 mt-10 -155.83 153.06 29.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -137.81 159.42 42.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.31 143.32 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -88.77 99.21 12.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.93 -19.96 50.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 58' ' ' MET . 36.4 ttm -78.38 -5.55 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -135.64 -69.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HE3' HD22 ' A' ' 63' ' ' LEU . 7.4 mtmt -128.41 93.17 39.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.53 2.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.511 1.795 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.2 -3.78 6.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD22 ' HE3' ' A' ' 60' ' ' LYS . 11.7 tp -98.45 100.85 12.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.594 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 33.6 m95 -93.19 140.58 29.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -128.76 142.85 50.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -51.89 110.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.896 ' HG2' HD12 ' A' ' 79' ' ' LEU . 3.4 tp60 -86.63 -78.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -170.42 154.5 4.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 pt-20 -127.3 159.76 33.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.792 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -136.75 -175.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -179.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -100.87 18.85 54.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -30.3 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.792 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -87.47 171.53 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 p -146.16 16.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 3.7 p -140.49 127.15 20.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HB2' ' HH2' ' A' ' 37' ' ' TRP . . . -136.35 163.61 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.599 ' O ' HD13 ' A' ' 79' ' ' LEU . 6.7 mt-30 -104.65 148.76 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.896 HD12 ' HG2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -124.5 119.62 29.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.62 106.57 11.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.805 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -128.28 163.67 24.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.9 168.45 7.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.04 151.3 39.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.691 ' CZ ' ' HB3' ' A' ' 113' ' ' ALA . 40.1 m-85 59.31 56.59 3.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.748 HG12 ' CE2' ' A' ' 87' ' ' TYR . 99.2 t -157.5 111.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' C ' ' CG ' ' A' ' 87' ' ' TYR . 64.9 t30 -88.27 161.45 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.748 ' CE2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER 169.5 168.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.447 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.4 p -107.6 -178.9 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB3' HD22 ' A' ' 35' ' ' LEU . 96.4 m-85 -143.75 122.87 12.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 5.9 ptt180 -118.2 132.19 56.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.968 HG23 HD21 ' A' ' 23' ' ' LEU . 93.0 t -103.28 146.97 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 51' ' ' ILE . 6.4 mtm -131.72 151.69 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.631 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.89 135.95 54.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.759 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.6 t -129.28 131.18 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.4 p30 -132.65 -167.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.79 -41.98 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 14' ' ' TYR . 4.9 mm -60.49 -85.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -160.24 -153.39 6.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.691 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttmt -105.5 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 81.3 p -64.19 -177.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.02 161.01 77.1 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 18.3 Cg_endo -74.94 139.24 24.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.444 ' OG ' HD22 ' A' ' 23' ' ' LEU . 83.6 p -45.05 152.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 63.0 mt-10 -35.02 -70.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.61 96.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.746 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.6 t -44.9 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.648 ' OE2' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.81 173.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.471 ' NE2' HD21 ' A' ' 86' ' ' ASN . 6.8 mt-30 -91.17 96.21 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 59.3 t80 -92.34 125.95 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 119' ' ' ASN . 0.4 OUTLIER -121.77 115.12 22.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.4 p -50.89 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -132.36 145.31 51.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.691 ' HB3' ' CZ ' ' A' ' 84' ' ' TYR . . . -145.61 69.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.16 55.33 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 173.18 130.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.66 14.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.23 118.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.98 66.21 9.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.64 ' HA ' HD12 ' A' ' 110' ' ' LEU . 8.8 t-20 44.64 81.72 0.25 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.03 122.73 7.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.3 t -141.95 154.1 44.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -103.01 95.88 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.11 -155.34 26.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -178.45 4.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.78 164.64 13.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.52 80.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -163.76 132.96 3.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 0.788 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.32 161.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.79 111.92 0.32 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.47 115.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.99 156.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 -144.63 4.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 80.27 2.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -139.15 91.47 11.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.424 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 18.4 Cg_endo -74.97 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 10' ' ' PRO . . . 176.71 138.31 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 18.3 Cg_endo -75.0 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -136.88 86.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.652 ' CB ' HD11 ' A' ' 97' ' ' ILE . 98.3 m-85 -73.39 -179.76 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.626 ' O ' HG22 ' A' ' 16' ' ' VAL . 4.6 m-20 168.47 49.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 15' ' ' ASP . 29.5 m 50.03 162.24 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.3 Cg_endo -75.0 125.44 9.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.465 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.1 m-80 -49.35 164.15 0.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.02 147.63 34.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.97 171.7 17.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -151.96 174.76 13.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.73 23.93 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.872 HD23 ' HB3' ' A' ' 106' ' ' SER . 1.5 mp -59.82 133.8 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.2 mt-10 -161.72 152.18 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 35' ' ' LEU . 2.5 mm? -106.53 134.12 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 p -148.96 111.92 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.62 177.12 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.06 18.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.28 103.72 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -56.6 91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.79 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -131.93 97.5 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.873 HG12 HD21 ' A' ' 81' ' ' LEU . 9.9 p -84.05 134.34 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.57 130.51 35.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD13 HD11 ' A' ' 25' ' ' LEU . 28.3 tp -109.27 111.2 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.6 m -100.01 117.09 33.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.639 ' CG ' HG11 ' A' ' 91' ' ' VAL . 38.3 p90 -122.63 163.33 20.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 52.0 m -129.28 111.62 18.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.4 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.39 -141.51 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -59.05 157.84 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.63 -17.05 14.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 43' ' ' ASN . 1.6 m-80 60.6 66.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.576 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 72.0 m-80 68.04 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.496 ' CB ' ' ND2' ' A' ' 95' ' ' ASN . 32.2 m -72.11 113.88 24.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.22 32.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -61.66 142.12 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLY . 30.2 p -126.3 -32.11 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -138.69 158.86 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 5.2 m-85 -137.68 104.72 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.78 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.9 mp -88.85 155.66 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.434 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.8 mt -132.53 158.18 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.497 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 27.2 mt-10 -155.85 140.3 16.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 88' ' ' SER . 5.9 p90 -129.64 158.89 38.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -133.83 155.9 49.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -100.91 89.32 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.18 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.517 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 tpp -79.97 -25.68 40.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -117.37 -70.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -115.58 91.14 28.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.54 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.546 1.814 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' TRP . . . 120.98 -18.68 8.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -81.76 106.36 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.62 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 37.6 m95 -98.33 144.58 27.58 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -130.48 135.33 47.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.642 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -52.7 104.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.596 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -79.63 -72.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -171.84 164.49 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -126.71 173.03 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.919 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -147.93 -176.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.44 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.68 25.73 10.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.33 -38.35 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.919 ' NE2' HG11 ' A' ' 70' ' ' VAL . 6.7 pt20 -83.11 164.72 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.8 p -142.06 15.24 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.7 p -139.59 127.5 22.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.37 149.51 44.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' HD23 ' A' ' 79' ' ' LEU . 5.2 mt-30 -88.23 131.41 34.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD11 HD22 ' A' ' 35' ' ' LEU . 7.5 mt -107.62 139.78 41.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 1.049 ' C ' HD13 ' A' ' 81' ' ' LEU . 7.8 p-10 -106.31 112.73 25.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -128.58 162.46 27.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.3 158.47 32.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.443 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.99 161.16 39.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.631 ' O ' HG23 ' A' ' 85' ' ' VAL . 14.8 m-85 57.87 46.15 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.845 HG12 ' CD2' ' A' ' 87' ' ' TYR . 55.9 t -159.21 132.38 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.509 ' C ' ' CD2' ' A' ' 87' ' ' TYR . 6.9 t-20 -101.71 152.15 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.845 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -176.49 165.99 2.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.603 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.5 p -114.05 -178.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 88' ' ' SER . 25.3 m-85 -148.75 130.76 15.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.62 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.8 OUTLIER -127.12 147.66 50.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' CG ' ' A' ' 37' ' ' TRP . 46.7 t -117.03 132.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.404 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 4.6 mtm -115.39 152.75 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -119.5 139.88 51.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.78 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -138.97 130.02 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.496 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 40.0 p30 -133.0 -172.14 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 95' ' ' ASN . 0.5 OUTLIER -37.89 -49.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.652 HD11 ' CB ' ' A' ' 14' ' ' TYR . 3.2 mm -54.86 -93.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -155.8 -156.48 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 94' ' ' VAL . 15.7 ttpp -99.66 134.24 42.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 0.799 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 60.2 p -85.19 -176.04 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.4 mt -75.47 160.91 78.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HB3' ' NE ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -75.04 143.16 28.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLU . 26.9 p -52.09 154.74 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 39.8 mt-10 -35.42 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 161.07 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.872 ' HB3' HD23 ' A' ' 23' ' ' LEU . 47.1 p -42.66 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 153.57 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -72.4 96.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.659 ' CE2' HG21 ' A' ' 33' ' ' VAL . 58.3 t80 -95.09 117.29 29.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 85' ' ' VAL . 7.8 tp -115.9 111.83 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.407 HG23 ' OH ' ' A' ' 87' ' ' TYR . 36.5 p -54.19 157.43 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.41 158.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.43 56.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.07 50.49 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -171.24 146.55 2.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.5 168.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.94 70.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 110' ' ' LEU . 10.0 t-20 70.9 111.28 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.78 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 t -135.26 137.87 42.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -59.88 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.949 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.52 157.13 21.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 75.42 3.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 50.33 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.0 t 59.62 156.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -65.46 157.56 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.09 169.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.97 -108.08 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 61.76 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -90.95 -38.87 12.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.37 87.59 1.89 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' ALA . 18.6 Cg_endo -74.9 133.71 17.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -74.95 -52.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.95 -71.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -40.45 143.04 0.69 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HG2' ' CE2' ' A' ' 14' ' ' TYR . 18.4 Cg_endo -75.04 177.65 8.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.5 p -135.4 84.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 97' ' ' ILE . 86.1 m-85 -69.19 -171.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.624 ' O ' ' O ' ' A' ' 16' ' ' VAL . 5.3 m-20 158.63 50.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.624 ' O ' ' O ' ' A' ' 15' ' ' ASP . 22.0 m 49.11 162.9 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.2 Cg_endo -75.1 119.22 5.53 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.567 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.3 m-80 -40.61 159.45 0.15 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.2 Cg_endo -75.06 149.67 36.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 19' ' ' PRO . 18.1 Cg_endo -75.03 163.7 34.76 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -145.25 -178.4 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER 61.88 14.68 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.7 OUTLIER -40.22 124.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.11 167.37 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 89' ' ' PHE . 1.4 mt -131.83 114.53 14.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.1 p -145.23 129.88 18.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' HB3' HG23 ' A' ' 33' ' ' VAL . 4.3 p-10 -144.92 -168.41 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -177.12 39.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.5 154.42 43.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.61 42.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -129.22 -52.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.74 173.59 16.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 27' ' ' ASP . 11.8 p -109.25 148.99 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -101.7 122.36 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 22.6 tp -96.25 111.19 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -97.62 116.08 29.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.9 p90 -115.67 163.13 16.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.49 1.119 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 54.2 m -120.17 109.93 36.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.03 -150.01 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.97 164.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 -17.5 12.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.567 HD21 ' ND2' ' A' ' 18' ' ' ASN . 1.7 m-80 61.04 67.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 71.5 m-80 67.93 -61.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.3 m -72.77 115.62 41.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.54 30.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.9 HG21 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -59.62 146.93 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 72' ' ' GLY . 68.3 p -126.12 -30.88 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -149.02 159.0 44.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.9 ' CE2' HG21 ' A' ' 47' ' ' ILE . 37.6 m-85 -135.25 104.27 5.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.741 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.5 mp -89.04 156.51 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.82 HG23 ' O ' ' A' ' 90' ' ' ARG . 2.3 mp -130.8 139.12 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ARG . 13.6 mt-10 -132.18 149.09 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 88' ' ' SER . 14.8 p90 -135.31 155.67 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -130.41 144.17 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.254 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' MET . 13.4 t0 -93.96 118.77 31.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.18 -9.06 43.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.464 ' HG2' ' CE1' ' A' ' 59' ' ' HIS . 15.8 ttm -91.85 -11.55 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 39.4 m80 -129.07 -78.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ASP . 3.2 mtmt -118.62 94.36 47.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 138.96 23.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.21 -9.0 77.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.9 tp -93.88 103.0 15.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.616 ' CG ' ' NH2' ' A' ' 90' ' ' ARG . 41.9 m95 -95.57 139.15 32.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -121.71 178.09 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.6 ' CE1' ' CG2' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -85.86 125.61 33.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.558 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -102.43 -74.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.1 t -163.83 155.27 16.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -132.97 151.9 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 m -131.46 -175.64 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.61 178.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 47' ' ' ILE . . . -91.11 6.97 81.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.95 -8.29 13.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -85.66 158.85 19.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.461 ' C ' HG23 ' A' ' 76' ' ' THR . 18.9 p -146.21 14.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 75' ' ' THR . 74.1 p -153.24 132.39 12.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.1 144.26 31.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.6 mt-30 -73.63 135.18 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 35' ' ' LEU . 7.8 mt -113.78 123.99 51.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -80.15 108.53 13.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD12 ' CE1' ' A' ' 109' ' ' TYR . 14.0 mt -107.33 148.44 29.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' HG11 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -111.78 178.97 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 82' ' ' SER . 18.4 Cg_endo -74.95 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 9.8 m-85 -77.46 89.06 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.723 HG22 ' CE2' ' A' ' 87' ' ' TYR . 1.1 p -176.39 139.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.507 ' CB ' HD21 ' A' ' 110' ' ' LEU . 34.2 t30 -123.85 147.42 47.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.723 ' CE2' HG22 ' A' ' 85' ' ' VAL . 1.3 p90 178.39 -174.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -125.92 -177.32 3.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HD2' HD11 ' A' ' 25' ' ' LEU . 24.3 m-85 -130.37 122.1 27.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.82 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.8 ttp180 -113.66 158.83 20.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG11 ' CG ' ' A' ' 37' ' ' TRP . 86.2 t -137.14 135.39 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.441 ' HG3' ' HA ' ' A' ' 102' ' ' PRO . 2.2 mtm -125.2 154.83 40.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 47' ' ' ILE . . . -122.92 133.56 54.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.741 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.1 t -124.72 129.86 73.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' ' CB ' ' A' ' 45' ' ' SER . 55.7 p30 -132.04 -167.97 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -40.06 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.939 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 14' ' ' TYR . 3.9 mm -65.65 -85.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.71 -154.37 7.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.597 ' HE2' HD13 ' A' ' 51' ' ' ILE . 23.7 ttmt -100.83 119.02 38.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 46.1 p -68.29 168.13 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.48 162.97 1.46 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 18.3 Cg_endo -74.95 145.17 31.33 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 104' ' ' GLU . 57.5 p -55.5 152.54 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 22.3 mt-10 -37.6 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 160.74 110.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.883 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -66.11 168.88 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -53.57 160.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.24 96.27 8.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.508 ' CE1' HD12 ' A' ' 81' ' ' LEU . 2.0 t80 -78.66 123.06 26.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -129.31 127.32 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.5 p -81.78 177.54 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 1.4 mptt -110.0 128.38 55.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 84' ' ' TYR . . . -107.2 58.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.42 58.82 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 174.15 132.19 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.01 30.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.407 ' C ' ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 165.6 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -88.35 -49.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.496 ' CB ' ' HD3' ' A' ' 120' ' ' PRO . 1.2 m-20 -43.81 -52.67 14.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 119' ' ' ASN . 18.3 Cg_endo -75.02 -174.4 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 m 43.08 76.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.438 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.1 p -93.22 93.98 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.052 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -113.79 -152.63 10.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.4 24.9 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.69 136.28 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -88.04 137.87 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.51 146.36 50.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.01 159.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.77 80.62 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -86.47 146.99 26.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -143.1 -52.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.96 71.86 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.88 6.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.502 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -71.48 -51.21 9.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.97 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 10' ' ' PRO . . . 69.4 139.75 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' C ' ' CG2' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -168.88 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 12' ' ' PRO . 2.2 t -152.14 136.44 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASP . 23.8 m-85 -117.48 -168.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.9 m-20 157.03 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 15' ' ' ASP . 35.5 m 50.04 161.98 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HG2' ' CB ' ' A' ' 93' ' ' ALA . 18.2 Cg_endo -75.01 120.37 6.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' ND2' HD21 ' A' ' 43' ' ' ASN . 1.6 m-80 -44.64 161.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 18.1 Cg_endo -75.02 150.85 38.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.0 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -151.95 -174.55 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.35 19.36 3.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' HB2' ' A' ' 106' ' ' SER . 0.8 OUTLIER -42.67 153.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.62 165.18 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 109' ' ' TYR . 6.4 mt -138.43 109.29 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 25' ' ' LEU . 70.8 p -151.53 128.96 11.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -140.06 165.12 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -134.57 52.06 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.05 115.48 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -71.21 77.75 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.6 -55.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.11 117.18 5.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 109' ' ' TYR . 4.1 p -57.22 173.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' H ' HG22 ' A' ' 33' ' ' VAL . 13.1 tt0 -128.36 133.5 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.95 HD13 ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -102.76 121.19 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -112.42 102.72 10.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.95 ' CE3' HD13 ' A' ' 35' ' ' LEU . 43.2 p90 -107.23 163.53 12.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 91.2 m -127.86 112.78 20.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 18.3 Cg_endo -75.07 122.89 7.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.39 -142.89 1.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.572 1.17 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.5 159.12 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 46' ' ' PRO . 1.5 m-20 -109.94 -18.08 13.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' SER . 1.6 m-80 61.08 68.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 8.9 m-80 66.85 -62.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -72.63 117.33 58.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 42' ' ' ASP . 18.3 Cg_endo -74.97 150.14 37.89 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.859 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -63.67 144.2 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 72' ' ' GLY . 33.4 p -122.86 -35.24 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -143.81 159.23 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.859 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 22.7 m-85 -135.28 107.54 7.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.821 ' CD1' HG21 ' A' ' 94' ' ' VAL . 2.8 mp -89.17 151.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.73 HD11 ' CH2' ' A' ' 37' ' ' TRP . 2.2 mp -127.33 158.13 38.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -155.44 156.28 35.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' TRP . 16.8 p90 -142.14 157.5 44.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -123.93 138.24 54.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -89.17 91.12 8.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . . . -68.48 -27.59 66.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.4 ttm -71.85 -31.88 66.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -102.83 -68.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -138.42 103.47 7.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.86 11.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.83 -18.06 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.3 tp -85.3 102.13 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.238 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 90' ' ' ARG . 52.8 m95 -92.36 144.62 25.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.046 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.46 153.44 47.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.649 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -67.29 107.16 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.41 HE21 HD13 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -83.27 -77.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -168.57 160.65 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.64 167.48 16.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' NE2' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -143.47 -178.44 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.02 170.17 13.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' THR . . . -89.44 19.9 37.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.3 -36.28 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.629 ' NE2' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -84.79 170.81 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.5 p -152.33 20.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.414 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 16.4 p -141.51 120.02 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.41 138.34 46.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.559 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -74.71 130.08 38.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 78' ' ' GLN . 6.8 mt -109.04 142.25 40.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -96.86 108.41 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 89' ' ' PHE . 12.3 mt -107.27 154.88 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.87 163.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 136.56 20.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 83' ' ' PRO . 11.2 m-85 64.2 56.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 87' ' ' TYR . 4.9 t -151.61 95.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -82.51 142.55 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CD2' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -179.18 174.96 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.429 ' OG ' ' CH2' ' A' ' 64' ' ' TRP . 1.1 p -116.8 179.89 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CE1' HD21 ' A' ' 81' ' ' LEU . 84.4 m-85 -145.37 122.14 11.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.585 ' HD3' ' CE3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -113.55 -175.86 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG11 ' CD1' ' A' ' 37' ' ' TRP . 76.8 t -154.68 133.5 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.489 ' HE3' ' C ' ' A' ' 51' ' ' ILE . 4.0 mtm -118.89 146.19 45.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -111.41 135.65 51.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.821 HG21 ' CD1' ' A' ' 51' ' ' ILE . 2.2 t -130.29 129.63 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 45' ' ' SER . 55.0 p30 -133.21 -167.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.92 -44.05 14.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 6.3 mm -60.59 -88.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -162.06 -156.63 8.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.702 ' HG3' HG22 ' A' ' 94' ' ' VAL . 24.3 ttmt -96.22 133.26 40.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 17' ' ' PRO . 94.8 p -86.01 174.65 9.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -62.57 159.12 45.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.02 27.3 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLU . 53.8 p -49.55 151.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -35.92 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 104' ' ' GLU . . . 163.31 109.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -59.13 170.15 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 162.78 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.01 97.92 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.578 ' CE2' HG21 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -81.83 117.02 21.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.919 HD23 ' HA ' ' A' ' 119' ' ' ASN . 6.5 tp -120.38 105.68 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -59.12 172.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -55.23 134.99 50.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -145.48 53.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 46.27 57.09 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -167.74 152.68 6.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -62.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.48 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.44 -74.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.919 ' HA ' HD23 ' A' ' 110' ' ' LEU . 8.5 t-20 -134.52 142.33 42.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.9 m -85.51 99.38 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 m -103.73 148.44 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.96 159.82 33.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.81 10.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.2 m -107.23 100.12 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.7 146.39 24.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.951 . . . . . . . . 0 0 . 1 stop_ save_