data_1v88_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 1v88 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -49.42 147.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 30' ' ' LEU . 79.3 t -89.43 -64.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.478 ' HG2' ' CB ' ' A' ' 30' ' ' LEU . 13.0 ptm -159.6 156.43 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.51 129.34 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -155.96 164.92 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -85.51 106.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.42 150.24 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.4 mttt -96.85 136.89 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 72.8 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 69.4 t-105 -98.4 98.39 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.5 m -93.92 132.36 38.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.87 119.8 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.1 OUTLIER -85.86 116.63 24.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.8 mttt -110.78 173.41 2.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 89.66 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 85.21 27.18 34.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -167.74 158.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.723 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tp -139.18 136.05 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -115.85 154.76 29.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.35 130.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 96.4 m-85 -130.08 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 15.6 mttt -51.17 -42.61 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 2.7 t -156.1 175.16 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.95 -31.71 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -58.36 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.33 -66.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.74 68.56 1.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -78.58 -9.46 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 29.5 t90 67.16 145.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.77 -55.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 173.54 46.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -125.45 143.51 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 0.726 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.474 ' CG2' ' CD1' ' A' ' 102' ' ' LEU . 49.1 t -113.23 135.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.63 137.09 37.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 47.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -51.82 -36.97 49.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.04 58.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 17.7 m -97.78 159.13 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -126.97 166.8 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.475 ' CG2' ' HE3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -117.89 138.89 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.84 -31.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 69' ' ' PHE . 11.4 tt0 84.11 155.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -164.16 67.21 1.45 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.2 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.477 0.18 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.73 173.84 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.3 p90 -156.65 179.48 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -141.79 127.77 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.4 tt -111.89 111.87 23.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.496 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 37.5 p90 -122.92 173.84 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -106.7 127.56 27.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.97 6.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -91.54 25.23 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.5 mt-10 36.49 90.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.26 -173.91 3.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 p -98.03 108.43 21.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 pt -84.27 49.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.3 m95 -147.85 137.78 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 143.65 43.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.26 -33.35 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.19 -134.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.74 -145.25 4.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.94 -50.34 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -97.08 40.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.8 64.52 2.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -130.89 131.92 44.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -42.88 -60.82 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.6 t -149.39 156.76 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.49 -66.16 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.99 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.489 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 23.0 t -141.47 -44.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -55.06 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 9.8 p90 -97.05 178.93 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.474 ' CD1' ' CG2' ' A' ' 50' ' ' VAL . 1.7 mt -163.04 110.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.5 mm -87.75 132.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.3 mt -132.66 160.86 42.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' LYS . 21.1 ttt-85 -135.95 139.37 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.13 177.37 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -66.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 m -117.64 154.74 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -43.15 -40.72 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 m -58.49 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.59 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.69 -46.09 59.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.539 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -55.88 -35.17 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -35.26 55.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.476 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 47.5 m95 -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.475 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 1.9 ppp? -55.0 -22.79 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' MET . 30.3 m-20 -82.72 -60.62 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -48.28 -49.1 34.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -45.58 -60.27 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -47.45 -39.68 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 124' ' ' LYS . 27.3 mt -71.2 -53.49 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.01 -63.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -53.79 -36.08 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 121' ' ' LEU . 11.0 mmtt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -49.53 146.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 30' ' ' LEU . 59.9 t -86.72 -64.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.514 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 15.8 ptm -160.27 157.08 27.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.1 128.98 23.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -155.86 170.37 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -87.44 109.77 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD22 ' NE1' ' A' ' 115' ' ' TRP . 19.3 mt -112.67 135.83 52.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.58 132.06 34.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 75.2 t-105 -99.56 97.29 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.2 134.79 34.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.346 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.81 119.64 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -86.1 116.18 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.3 mttt -112.28 172.41 3.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 89.68 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.52 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 85.23 26.77 35.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -167.52 157.05 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.88 155.82 28.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.81 126.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 73.3 m-85 -124.93 139.18 54.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 10.4 mttt -46.6 -49.27 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -148.3 172.29 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.486 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -89.63 -28.91 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -46.91 -67.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.96 88.59 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.53 -6.18 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 67.9 152.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.43 -56.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.05 169.16 41.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 m -120.79 137.04 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 102' ' ' LEU . 45.9 t -104.6 128.04 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.82 130.84 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.01 49.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -34.86 64.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -178.53 62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 33.5 m -99.67 163.83 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.68 174.96 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CG2' ' HE2' ' A' ' 116' ' ' MET . 0.0 OUTLIER -128.72 142.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pp -123.51 -35.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.6 tt0 91.82 153.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -166.54 74.16 1.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.477 0.18 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.4 m -140.83 163.11 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 108.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.1 p90 -143.52 176.23 9.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' CG ' HD12 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -135.37 130.14 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 57' ' ' ILE . 4.8 tt -120.19 110.48 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -117.32 168.61 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.7 t-80 -112.27 121.5 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.03 -26.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 65.21 60.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -117.2 -82.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -170.15 141.25 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 73' ' ' HIS . 1.6 pt -117.23 25.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.401 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 95.9 m95 -132.66 143.17 49.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.014 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.05 159.17 27.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.6 m -74.27 -33.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.59 -133.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -146.46 -144.93 4.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.05 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.09 35.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.24 60.36 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.4 133.2 50.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.58 -60.12 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.91 156.21 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.18 -68.65 1.0 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.96 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 m -139.75 -46.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 p -92.59 -55.35 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 21.9 p90 -95.54 177.81 5.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' ' 50' ' ' VAL . 1.3 mt -159.18 110.33 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.46 HD12 ' CG ' ' A' ' 70' ' ' LYS . 18.9 mm -84.15 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.3 mt -135.68 163.54 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.41 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 14.3 ttm180 -135.25 139.16 44.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.41 168.33 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.28 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.12 168.38 10.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.38 -54.1 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' ASP . 19.2 m -51.21 -59.64 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . 4.1 m-20 -40.14 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.28 -53.1 8.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -49.88 -35.4 23.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -38.06 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.514 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 37.8 m95 -64.3 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.469 ' HE2' ' CG2' ' A' ' 57' ' ' ILE . 21.9 ptm -51.08 -27.16 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.45 -62.42 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -45.29 -35.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.87 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 123' ' ' LEU . 52.9 mt-10 -38.65 -37.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 124' ' ' LYS . 18.9 mt -75.97 -53.14 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -59.34 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -56.29 -33.97 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.8 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -52.76 149.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 30' ' ' LEU . 72.4 t -91.42 -62.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.533 ' HE2' ' CD1' ' A' ' 115' ' ' TRP . 16.3 ptm -160.4 157.19 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.84 127.66 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -155.72 169.08 25.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -87.85 106.3 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 107.96 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.1 mt -106.12 141.88 36.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -93.13 130.97 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.4 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -95.98 97.93 9.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.2 m -90.66 135.42 33.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -119.29 118.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -86.04 120.08 27.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.4 mttm -113.11 173.95 2.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -74.99 87.04 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.532 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.39 25.73 32.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 1.1 m -167.45 153.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -134.66 142.05 46.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -122.01 155.98 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.69 126.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 87.4 m-85 -124.39 144.68 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 17.7 mttt -50.67 -52.95 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.39 -40.9 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' GLN . 6.5 mmtt -39.63 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 2.9 p30 -88.7 -54.56 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 77.6 88.22 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.38 -4.42 58.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.4 t90 68.15 153.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.963 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.75 -53.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.32 176.32 45.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.578 1.174 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -133.33 142.06 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 102' ' ' LEU . 47.5 t -111.1 129.55 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 mt -96.57 134.93 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -108.09 54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 67.6 m-80 -70.95 59.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 53' ' ' ASN . . . 83.32 53.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 74.1 m -97.19 156.69 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -125.87 165.45 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.515 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -122.64 139.32 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.3 pt -114.56 -32.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.0 tt0 84.94 149.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.429 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 3.6 mtm180 -158.05 69.2 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.4 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.521 0.201 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -149.88 167.92 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.266 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.43 176.54 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 129.12 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 tt -113.52 115.73 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -120.15 170.28 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 75' ' ' LEU . 8.9 t-80 -107.49 126.71 29.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -40.36 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 73' ' ' HIS . 5.8 mp -59.54 -18.95 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.99 53.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.61 -84.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -174.02 145.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.6 pt -116.04 49.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.0 m95 -146.52 138.72 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 146.6 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.79 -32.85 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -125.04 -129.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -148.65 -145.54 4.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.577 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.96 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -93.38 46.54 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 83' ' ' LYS . . . 37.87 70.7 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.053 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 83' ' ' LYS . 12.2 mt-10 -136.05 135.49 39.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.84 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.48 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -164.08 154.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -90.28 -97.07 1.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.531 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.0 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 15.4 m -137.5 -45.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 p -79.84 -53.0 7.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 19.9 p90 -105.76 -174.59 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.487 HD11 ' CZ2' ' A' ' 80' ' ' TRP . 1.9 mt -165.44 120.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mm -94.22 135.8 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.1 mt -136.35 163.28 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.43 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 35.7 ttt180 -138.91 146.02 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -118.02 173.91 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.05 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.59 151.38 40.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -39.08 -40.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -67.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -42.26 -56.06 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.402 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -55.7 -47.19 79.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -56.1 -34.99 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -34.79 49.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD1' ' HE2' ' A' ' 10' ' ' MET . 30.6 m95 -64.92 -59.25 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.01 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.515 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 ppp? -60.21 -24.92 65.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 5.2 m-20 -81.11 -53.45 6.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.8 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 12.4 mt -52.41 -68.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -37.3 -54.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 32.4 mt -60.27 -52.89 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.59 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -52.88 -30.36 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 mmtt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -49.86 147.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 30' ' ' LEU . 69.9 t -87.84 -63.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.556 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 12.6 ptm -160.94 157.23 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.85 129.01 22.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -156.07 168.48 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -85.7 106.29 16.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.8 mt -105.12 146.49 29.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -96.39 136.83 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.3 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 73.4 t-105 -101.51 96.03 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 m -89.94 137.88 31.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.39 119.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -85.99 118.81 25.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.2 mttt -113.71 173.76 2.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 86.67 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.511 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.54 27.07 30.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.44 150.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.86 138.51 45.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.03 157.13 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -136.95 135.9 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.44 140.9 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.5 mttt -49.04 -38.11 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -164.51 173.35 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -86.14 -45.54 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -94.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.09 -70.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.79 0.88 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.48 -4.4 55.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 24.5 t90 68.03 149.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.34 -53.49 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.83 -177.81 46.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 138.48 45.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.43 ' CG2' HD11 ' A' ' 102' ' ' LEU . 56.3 t -106.28 129.09 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 81' ' ' ALA . 9.9 mt -90.93 134.06 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -117.38 36.28 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.62 -44.87 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.34 59.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 23.2 m -97.67 160.4 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.16 170.47 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -124.79 135.58 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -112.04 -31.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.9 tt0 87.82 154.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -164.47 85.84 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 4.1 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 39.3 m -131.23 161.57 31.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.7 p90 -138.7 -179.94 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.3 132.99 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 57' ' ' ILE . 5.7 tt -119.65 112.7 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.521 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 42.1 p90 -122.94 168.06 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -101.28 126.38 34.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.546 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.59 -11.87 61.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.19 64.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -114.92 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -177.09 135.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 102' ' ' LEU . 6.0 pt -108.23 36.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.532 ' CH2' HD23 ' A' ' 97' ' ' LEU . 99.2 m95 -137.36 154.76 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -108.51 141.29 40.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 83' ' ' LYS . 32.1 m -66.23 -43.12 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' CE ' HG23 ' A' ' 82' ' ' VAL . 2.2 mtmt -97.71 -166.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.533 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -130.23 -146.44 5.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.0 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' CE ' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -83.88 -33.5 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.56 56.0 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -127.39 144.77 51.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.54 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -167.08 154.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -85.6 -92.45 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.532 HD23 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.02 -163.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.46 -47.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 p -82.53 -48.86 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 16.5 p90 -107.87 -174.88 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 2.0 mt -165.58 113.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 6.2 mm -93.31 134.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.5 mt -133.25 163.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 64.5 ttt180 -139.79 137.11 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.43 165.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.3 m -67.91 -72.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -105.2 145.27 30.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -41.96 -50.81 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.61 -44.63 37.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.06 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -49.1 -55.19 12.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 5.0 mtm180 -48.06 -32.61 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -35.73 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.556 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 49.3 m95 -67.08 -57.05 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.486 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 ppp? -61.23 -20.77 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 -58.24 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.77 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -42.45 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.474 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 53.4 mt-10 -40.33 -44.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.5 mt -67.3 -51.44 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.43 -67.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -53.1 -33.83 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -48.24 146.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 30' ' ' LEU . 76.5 t -87.79 -63.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.566 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 16.6 ptm -160.06 157.33 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.87 126.77 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 10.9 t0 -155.74 170.51 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.423 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 82.3 m95 -85.33 110.8 19.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 115' ' ' TRP . 27.1 mt -116.93 145.25 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -95.34 136.72 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 39.1 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.2 t-105 -91.24 96.68 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 m -91.27 133.6 35.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 t -115.98 119.47 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -86.14 119.29 26.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.1 mttt -112.92 173.72 2.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.525 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 88.57 26.41 27.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.6 150.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tp -132.74 137.55 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -118.15 157.66 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.95 128.46 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 77.8 m-85 -124.76 149.56 47.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' CD ' ' HB2' ' A' ' 45' ' ' GLN . 10.2 mtpt -51.57 -43.19 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.46 ' HG1' ' N ' ' A' ' 41' ' ' GLN . 1.6 t -160.66 173.17 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.599 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.84 -45.87 9.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -79.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.37 -63.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.74 90.05 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 29.1 mt-30 -110.03 -3.06 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.3 t90 61.13 151.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -126.91 -55.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 -178.4 42.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -133.92 144.62 48.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.1 t -108.15 128.66 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.83 132.6 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.6 41.62 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -46.9 -38.35 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.96 58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 19.2 m -97.01 157.94 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.06 162.54 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' HB ' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -115.8 137.02 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -111.96 -30.69 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 14.2 tt0 83.4 146.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -152.46 68.62 7.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.6 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.504 0.193 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.9 m -144.53 164.51 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.9 p90 -150.49 176.11 11.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.37 145.69 35.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 57' ' ' ILE . 3.7 tt -126.53 112.87 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 37.6 p90 -122.4 167.06 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 8.6 t-80 -105.87 125.65 32.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.5 mp -55.81 -19.68 12.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 65.87 59.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -119.32 -76.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 147.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.5 pt -118.75 46.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.0 m95 -143.31 154.11 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.54 138.37 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.476 ' CG2' ' CE ' ' A' ' 83' ' ' LYS . 35.5 m -68.28 -41.31 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' CE ' ' CG2' ' A' ' 82' ' ' VAL . 1.5 mtmt -96.67 -166.61 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.43 -150.26 6.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.97 -24.54 12.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.3 mmtt -127.21 53.67 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.24 68.07 0.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -131.12 130.13 42.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.8 -50.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.461 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -170.24 160.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.77 -83.24 1.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.04 -164.91 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.552 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.4 t -144.02 -46.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -84.12 -42.94 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 14.3 p90 -114.52 -178.47 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 1.8 mt -165.59 111.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -87.8 137.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.1 mt -135.55 153.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -134.14 133.04 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.15 -176.23 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.92 -55.74 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.03 157.09 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 1.2 tm-20 -42.79 -45.22 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -64.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.09 -65.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -45.28 -53.05 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 mmm180 -48.98 -30.68 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -34.2 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.566 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 42.4 m95 -70.19 -59.93 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.9 ppp? -56.61 -23.82 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 116' ' ' MET . 14.5 m-20 -83.66 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.94 -38.4 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.73 -60.8 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.418 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 34.8 mt-10 -47.96 -39.34 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.7 mt -71.39 -51.96 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.68 -65.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -52.88 -34.16 53.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.6 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -55.16 152.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.3 -61.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.565 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 17.4 ptm -161.73 158.85 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -143.56 124.47 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -155.7 173.4 16.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -84.93 112.08 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 79.8 mt -111.65 134.67 53.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -85.6 117.44 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.588 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 12.9 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.54 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.3 t-105 -92.39 95.57 9.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.86 132.09 35.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -114.62 120.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 1.2 tt -85.8 124.84 32.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 9.5 mttt -121.62 172.69 4.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.95 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.38 29.64 24.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -168.49 158.89 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -144.88 134.27 23.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.9 mp -115.82 153.46 31.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.09 122.31 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 64.1 m-85 -118.14 146.42 44.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 5.8 mtpt -49.89 -45.66 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -155.61 168.81 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -85.87 -32.31 21.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -61.07 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -49.44 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.45 87.27 0.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 31.5 mt-30 -102.27 -1.66 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.589 ' CH2' ' HA3' ' A' ' 84' ' ' GLY . 27.4 t90 59.91 159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.81 -55.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.32 -179.36 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -135.37 145.24 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.9 131.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -94.46 132.24 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.59 50.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -52.8 -40.29 63.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.56 59.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 13.5 m -98.17 152.88 18.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -123.14 166.46 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -118.93 133.82 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -110.9 -29.26 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.8 tt0 87.44 149.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -162.87 82.31 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 2.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.461 0.172 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ARG . 86.2 m -148.96 161.63 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.8 p90 -135.3 169.33 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -131.87 123.15 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 57' ' ' ILE . 3.2 tt -114.56 135.1 54.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.449 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 47.3 p90 -139.37 173.85 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.23 122.82 40.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.615 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.59 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.36 -16.03 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 58.42 73.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -124.96 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.6 t -179.23 126.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.6 pt -99.76 35.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.471 ' NE1' ' O ' ' A' ' 98' ' ' PRO . 99.2 m95 -136.26 155.03 50.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.32 152.9 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -68.68 -32.49 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.6 -131.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.56 -147.9 4.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.88 43.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.77 71.56 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.28 138.82 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.296 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.63 -53.23 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 p -167.94 159.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.68 -83.87 1.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.97 179.9 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.401 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.9 t -127.61 -40.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 p -87.71 -54.02 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.9 p90 -102.86 179.78 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -164.58 120.18 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.38 136.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.3 mt -135.68 159.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.417 ' N ' HG23 ' A' ' 104' ' ' ILE . 21.4 ttt-85 -139.46 148.58 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.29 168.16 10.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -61.63 -53.23 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.97 172.45 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.35 -57.99 9.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -54.98 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.16 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -52.43 -30.53 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -34.69 29.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 38.3 m95 -67.56 -55.71 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.2 ptm -60.68 -31.23 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.33 -53.74 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.49 -44.16 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.2 mt -55.72 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -36.62 -50.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.78 -51.5 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.41 -66.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.3 pp -54.51 -33.11 59.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -50.04 146.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.67 -63.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE2' ' CD1' ' A' ' 115' ' ' TRP . 13.9 ptm -161.29 156.95 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.23 122.49 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -155.66 156.62 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -73.95 119.83 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 115' ' ' TRP . 11.9 mt -126.59 135.19 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -90.47 117.33 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 37' ' ' ILE . 10.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.526 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 44.8 t-105 -99.19 97.13 8.26 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -86.55 140.84 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.2 t -122.88 120.29 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.42 123.57 31.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 8.2 mttt -118.62 172.72 3.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -74.98 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.521 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 90.94 27.16 19.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.83 158.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tp -144.16 135.03 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.6 mp -115.88 155.85 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 26' ' ' LEU . 2.8 mp -136.29 125.52 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 81.1 m-85 -124.16 139.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 16.1 mttt -44.26 -45.95 8.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 3.5 t -151.13 177.65 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.24 -35.74 14.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.28 -88.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -64.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.77 61.98 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.1 -7.57 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 28.1 t90 67.37 161.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.37 -54.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.44 173.87 46.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -128.46 141.79 51.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.45 130.69 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -94.25 131.57 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.47 41.8 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.86 -38.53 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.58 58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.502 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 27.9 m -96.38 160.02 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -127.5 169.32 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.475 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.11 134.6 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -113.05 -31.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.602 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 9.0 tt0 84.93 150.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -155.31 77.2 4.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.6 t80 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.518 0.199 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.3 m -131.33 164.06 26.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.3 p90 -148.09 179.16 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -143.35 142.68 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.0 tt -125.0 114.73 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.566 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 41.5 p90 -123.8 168.52 12.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 75' ' ' LEU . 9.0 t-80 -103.71 126.24 32.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.55 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.03 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.1 mp -57.9 -21.56 44.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.0 64.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.44 -79.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 73' ' ' HIS . 5.8 pt -108.84 41.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.527 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.1 m95 -135.87 154.5 51.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.68 138.92 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -57.36 -28.7 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.4 -130.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -145.88 -146.3 4.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.03 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 37.08 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.13 76.06 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ALA . 13.3 mt-10 -140.59 135.33 31.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.89 -53.55 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.9 p -169.92 164.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 90' ' ' VAL . . . -103.24 -93.65 2.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.01 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.527 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 69.1 m -142.49 -45.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 m -93.6 -52.94 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 1.4 p90 -94.87 165.06 12.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -156.28 116.91 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 70' ' ' LYS . 7.0 mm -90.22 137.95 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 8.0 mt -136.37 143.4 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.433 ' N ' HG21 ' A' ' 104' ' ' ILE . 41.7 ttm-85 -119.63 134.19 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -107.77 178.13 4.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -72.33 -68.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -118.66 171.81 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -52.92 -39.22 62.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -66.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.99 -64.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.23 -41.14 38.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.8 mmt180 -62.9 -35.97 81.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -35.13 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.561 ' CD1' ' HE2' ' A' ' 10' ' ' MET . 37.1 m95 -63.92 -58.0 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 ppp? -62.13 -21.64 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 116' ' ' MET . 0.5 OUTLIER -83.26 -58.31 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.75 -53.22 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' GLU . 8.1 mt -43.42 -69.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -35.65 -51.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.9 mt -64.74 -51.11 64.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -41.08 -66.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -54.53 -32.66 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 8' ' ' ILE . 1.4 mp -46.22 158.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 5.9 t -107.21 -63.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.675 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.9 154.71 41.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -146.07 118.41 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.86 172.67 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -87.87 128.45 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.015 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 ' CZ2' ' A' ' 115' ' ' TRP . 47.9 mt -133.44 159.08 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 7.4 mttt -115.26 119.48 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.6 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 68.0 t-105 -94.83 95.7 8.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 107.984 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.9 m -89.16 131.2 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.53 118.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -85.53 129.1 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.6 mttm -120.09 174.99 2.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.98 83.88 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 90.57 27.14 20.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -168.2 157.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 tp -137.4 140.52 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -120.11 155.04 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.89 122.6 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 50.1 m-85 -119.32 148.54 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 47' ' ' VAL . 7.9 mtpt -53.54 -51.95 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.1 t -144.51 174.62 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.6 OUTLIER -87.9 -46.78 9.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -90.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -53.74 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 70.17 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.46 -7.0 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 31.4 t90 66.77 152.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 54.4 t -126.84 -55.44 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.26 178.22 43.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 50' ' ' VAL . 3.1 m -133.33 149.02 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 110.381 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 49' ' ' THR . 37.6 t -113.58 131.66 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -94.26 129.33 40.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 56.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -59.51 -35.13 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.74 57.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 14.4 m -96.08 156.3 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.51 169.1 14.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -121.5 133.24 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -111.79 -29.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 16.7 tt0 86.77 154.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.8 mtt-85 -168.43 78.14 0.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 3.1 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.56 0.219 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.0 m -143.69 167.84 21.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -142.38 -179.69 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.11 120.6 13.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 57' ' ' ILE . 4.4 tt -106.39 110.08 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 51.8 p90 -115.64 161.78 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.5 t-80 -110.16 119.31 47.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.433 1.754 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -47.95 -26.38 1.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.43 58.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -117.89 -79.81 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.64 142.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 102' ' ' LEU . 4.3 pt -115.74 39.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.2 m95 -137.88 125.99 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.28 137.98 58.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 m -55.57 -32.08 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.32 -134.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -141.99 -146.87 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.95 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -102.25 45.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.36 62.95 0.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -123.98 141.83 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.03 -55.83 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -166.4 156.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.422 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -83.62 -81.19 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.97 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.4 t -141.57 -46.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -50.65 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 26.1 p90 -105.73 -175.2 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.3 mt -165.61 115.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.35 137.81 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.362 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.1 mt -134.47 161.22 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 4.7 ttt180 -135.67 141.32 44.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.29 170.28 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -73.57 -50.45 21.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.71 157.9 43.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -42.73 -60.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.46 -63.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' CYS . 18.5 m-20 -45.14 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.36 -48.04 6.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -56.5 -35.16 67.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.1 OUTLIER -71.76 -39.79 69.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.675 ' CZ2' ' SD ' ' A' ' 10' ' ' MET . 56.4 m95 -64.08 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.451 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 20.1 ptm -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -83.34 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.67 -41.29 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.87 -62.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.479 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 38.7 mt-10 -45.97 -41.05 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 124' ' ' LYS . 30.4 mt -70.32 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.24 -64.48 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -53.48 -32.92 52.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.6 mttt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.93 166.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.516 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 42.2 t -110.24 -58.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.507 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 11.6 ptm -162.86 153.33 16.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.79 129.91 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 7.9 t0 -155.47 168.74 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.423 ' CH2' ' HA ' ' A' ' 40' ' ' THR . 85.5 m95 -86.92 106.29 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -108.98 148.57 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -95.82 136.42 36.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 49.3 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.476 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.4 t-105 -99.41 104.81 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -96.56 131.32 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.28 129.17 68.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 9' ' ' VAL . 3.0 tt -94.0 124.52 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HD2' ' CD1' ' A' ' 36' ' ' LEU . 18.3 mttt -117.27 172.24 4.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 79.52 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 95.5 28.75 9.35 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -168.28 162.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -145.03 139.16 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.4 mp -121.7 157.2 31.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 51.5 m-85 -129.04 144.58 51.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 16.8 mttt -49.8 -41.86 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -158.12 173.55 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.467 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.81 -46.27 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.98 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.35 84.33 0.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -91.4 -7.44 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 29.4 t90 67.37 148.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 107.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.4 t -123.02 -57.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.82 -178.69 40.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -136.28 138.61 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -107.31 131.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -94.65 132.45 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -113.09 43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.68 -38.84 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.17 60.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.487 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 23.2 m -97.04 164.6 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -132.64 169.62 16.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -122.59 136.02 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -116.69 -33.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.559 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 16.3 tt0 88.57 152.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.2 mtm-85 -163.01 70.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 15.6 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.534 0.207 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 75.1 m -139.03 163.78 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.2 p90 -144.34 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -134.97 132.72 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.5 tt -120.97 110.03 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -119.21 163.73 16.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.4 t-80 -104.35 122.03 45.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.1 mp -51.16 -22.03 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 65.44 66.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -127.26 -77.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.68 151.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 5.0 pt -125.11 35.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.0 m95 -134.17 151.87 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.32 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.19 -41.25 91.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -114.31 -161.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.556 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -125.9 -146.57 6.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -38.1 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -108.52 47.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.35 53.54 3.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -121.49 126.74 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.98 -62.59 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.9 t -145.22 157.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.51 -57.8 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.552 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -141.82 -48.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 p -82.18 -47.21 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 15.0 p90 -109.1 -176.08 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -165.45 124.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.431 HD13 ' NH2' ' A' ' 60' ' ' ARG . 2.3 mm -103.18 135.63 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.7 mt -131.79 162.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 106' ' ' ALA . 5.3 ttp180 -134.18 139.78 46.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' ARG . . . -110.78 171.55 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -79.97 -50.16 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 151.0 49.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 9.3 tt0 -40.65 -55.58 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.83 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -44.22 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.44 -45.97 52.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -54.32 -38.63 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -28.96 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.507 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 51.5 m95 -75.16 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.484 ' HE2' ' CG2' ' A' ' 57' ' ' ILE . 22.7 ptm -52.34 -25.75 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -81.99 -60.63 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.06 -40.08 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.08 -66.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -40.69 -43.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -69.22 -53.12 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.36 -66.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -52.59 -35.27 53.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 121' ' ' LEU . 7.8 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -51.47 148.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 30' ' ' LEU . 55.1 t -88.97 -62.12 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.573 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.1 ptm -162.25 157.33 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.7 123.53 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.24 161.84 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -74.7 107.68 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' CZ3' ' A' ' 115' ' ' TRP . 75.8 mt -105.49 131.72 52.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 19.2 mttt -81.19 122.13 27.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 4.0 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.487 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 t-105 -91.41 95.38 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 108.021 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.33 128.44 35.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 120.2 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -86.22 120.8 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.1 mttt -115.88 173.08 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 87.71 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.07 27.81 27.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -168.04 158.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.88 133.34 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.8 mp -115.37 158.42 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 128.12 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -124.71 140.51 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 13.9 mttt -47.09 -45.57 22.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -151.85 174.54 13.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.25 -30.66 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -100.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -43.27 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.88 74.12 1.25 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.88 -6.46 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 25.8 t90 67.77 155.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.71 -56.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.67 -176.61 42.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -137.28 136.55 38.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.764 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.63 129.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.2 124.99 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.19 39.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -44.2 -38.47 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.85 58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 29.7 m -97.02 156.14 16.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.2 173.94 7.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' HE3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -128.26 134.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -112.91 -32.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 20.3 tt0 88.2 157.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.444 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.1 mtp85 -163.14 68.25 1.79 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 4.5 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.505 0.193 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ARG . 5.6 m -141.25 166.73 23.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.8 p90 -148.18 177.84 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -133.47 153.88 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 55' ' ' CYS . 5.4 tt -141.27 110.64 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -119.19 173.88 6.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.3 t-80 -116.9 121.92 32.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.0 mp -51.06 -23.24 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 65.56 56.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -115.54 -80.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.45 147.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 102' ' ' LEU . 5.0 pt -118.0 32.95 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -133.49 150.43 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.81 142.37 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.75 -40.79 89.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -115.16 -161.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -126.51 -145.75 6.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.577 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.03 -47.31 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.451 1.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -94.5 32.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.07 51.25 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.39 132.51 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.19 -59.9 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.74 155.06 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.17 -71.63 1.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -141.75 -45.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.92 -54.99 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 11.7 p90 -96.9 176.1 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -159.84 109.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.9 mm -84.43 133.09 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.8 mt -132.71 161.98 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 58.6 ttt85 -139.32 132.46 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.527 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -100.92 162.28 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -55.37 35.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -135.09 172.57 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -53.5 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -64.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.527 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -48.75 -51.94 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -52.77 -33.31 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -37.02 29.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.578 ' CZ3' HD12 ' A' ' 14' ' ' LEU . 43.8 m95 -65.25 -58.13 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.957 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.459 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 20.7 ptm -56.47 -30.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.91 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.24 -32.1 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' ALA . 12.0 mt -67.07 -69.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 35.5 mt-10 -38.28 -37.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.5 mt -74.09 -51.98 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.1 -63.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -54.23 -35.56 62.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.4 mmtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -47.15 146.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.4 t -85.75 -62.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.569 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.6 ptm -162.2 157.18 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.61 127.8 24.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -155.47 170.18 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -89.59 106.95 18.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 mt -109.93 145.58 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -97.1 131.7 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 50.0 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 74.3 t-105 -96.72 95.9 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.0 m -88.39 130.24 35.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.85 118.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.22 125.86 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.6 mttm -119.37 173.82 3.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -75.0 87.19 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.512 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.09 26.97 29.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.46 156.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -120.13 156.07 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.53 126.0 38.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -122.08 146.4 47.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 15.7 mttt -55.38 -50.12 70.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -145.93 166.53 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -26.31 38.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -77.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.5 t-20 -82.09 53.79 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.82 91.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 8.6 mt-30 -89.58 -3.75 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.744 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 21.6 t90 69.36 147.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.01 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.7 t -124.44 -46.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.5 -178.65 48.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -138.51 137.94 37.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -104.89 130.97 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.01 129.75 41.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.54 38.99 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.84 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 14.1 m -99.1 155.89 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG2' ' CE1' ' A' ' 72' ' ' PHE . 7.4 pt-20 -122.44 176.37 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.527 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -129.75 136.41 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.83 -30.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 1.2 tt0 85.65 148.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -162.61 75.94 2.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 113' ' ' ARG . 10.0 t80 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.554 0.216 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.2 m -129.7 158.39 39.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 1.8 p90 -136.96 -179.84 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 123.87 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 57' ' ' ILE . 3.7 tt -112.93 115.46 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.609 ' CE1' ' HG2' ' A' ' 56' ' ' GLU . 4.6 p90 -120.89 168.67 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.0 t-80 -106.64 121.87 43.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.92 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.4 mp -55.93 -21.29 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.95 53.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -115.76 -79.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -178.52 156.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 5.1 pt -125.96 41.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -137.65 139.88 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.16 137.45 33.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.79 -40.32 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -115.32 -159.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.85 -145.71 5.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -100.0 48.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.83 92.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -157.98 142.63 16.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -51.75 -56.92 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 89' ' ' ALA . 2.4 t -152.85 164.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.61 -50.88 1.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -143.16 -49.09 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.03 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 p90 -110.9 -176.72 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -163.55 123.09 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -100.98 137.43 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.6 mt -133.63 163.5 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 66.8 ttt180 -138.56 137.0 36.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.23 165.41 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -64.08 -59.35 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 m -121.96 156.74 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.7 tt0 -43.99 -54.18 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -68.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -42.27 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.08 -50.17 9.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.5 mtm180 -57.26 -35.12 69.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.77 -31.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.569 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 45.7 m95 -71.4 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.527 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 4.3 ppp? -59.4 -22.66 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.9 m-20 -85.75 -57.21 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.9 -43.66 28.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -41.09 -40.25 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.6 mt -72.05 -53.33 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.07 -63.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -55.93 -34.2 65.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 121' ' ' LEU . 13.1 mmtt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -52.58 148.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 30' ' ' LEU . 74.7 t -87.9 -62.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.2 ptm -161.17 156.14 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.4 126.44 19.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -155.88 167.29 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -84.78 105.82 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -102.39 157.83 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -108.5 133.23 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 71.2 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' ' CG ' ' A' ' 41' ' ' GLN . 72.2 t-105 -98.89 96.99 8.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 108.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 m -92.6 132.62 36.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.86 119.55 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.3 OUTLIER -85.74 120.85 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.5 mttm -115.68 173.1 3.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.02 88.42 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.56 26.57 32.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.61 156.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.17 134.73 28.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.4 mp -115.58 154.87 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.34 124.19 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -119.22 147.32 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 15.2 mtpt -54.86 -36.69 65.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -162.55 173.59 13.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.587 ' CG ' ' CD2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -87.4 -46.69 9.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' GLN . 2.2 mmtt -44.47 -93.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.87 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 70.95 1.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.99 -8.62 59.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.601 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 23.2 t90 67.79 146.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG21 ' CG ' ' A' ' 39' ' ' LYS . 69.1 t -119.65 -52.17 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.16 -179.67 48.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -131.44 150.09 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' CG2' HD13 ' A' ' 102' ' ' LEU . 44.2 t -114.51 132.13 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.76 131.65 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.8 40.71 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -44.14 -43.21 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.47 60.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 6.9 m -96.23 161.54 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -124.47 175.45 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.6 pt -115.19 -34.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER 87.74 149.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 8.0 mtp180 -151.33 72.78 8.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.427 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 17.2 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.462 0.172 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.1 m -148.42 172.03 15.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.73 179.03 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -142.68 143.25 32.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -124.69 112.27 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.7 p90 -119.09 163.84 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 75' ' ' LEU . 7.7 t-80 -106.99 123.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -55.6 -20.69 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 tt0 83.13 28.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -91.71 -171.57 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -100.5 127.44 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 102' ' ' LEU . 3.2 pt -92.57 41.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.7 m95 -138.64 149.96 45.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.24 138.85 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.472 ' CG2' ' HE2' ' A' ' 83' ' ' LYS . 35.9 m -68.02 -42.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HE2' ' CG2' ' A' ' 82' ' ' VAL . 1.7 mtmt -97.14 -164.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -139.65 -148.12 5.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -25.94 11.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.7 mmtt -130.28 58.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.94 70.22 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.4 mt-10 -135.38 129.15 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.37 -57.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.601 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -165.07 156.96 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.476 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -87.46 -72.27 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.01 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.416 1.745 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 17.5 t -142.79 -46.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -53.21 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 23.7 p90 -103.01 -178.19 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 79' ' ' ILE . 1.3 mt -163.64 115.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.42 HD12 ' NH1' ' A' ' 60' ' ' ARG . 17.4 mm -88.56 137.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt -136.3 158.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -137.94 138.48 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -108.73 173.29 6.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.92 -60.48 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.93 153.08 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.592 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.6 tt0 -42.51 -37.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -66.4 -59.4 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' SER . 2.0 m-20 -40.73 -60.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.434 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -53.5 -51.38 48.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -49.54 -40.15 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -34.19 67.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.531 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 42.9 m95 -69.11 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.014 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 26.3 ptm -49.76 -31.76 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.52 -54.66 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.454 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -49.34 -47.94 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -51.35 -67.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -35.92 -53.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 40.0 mt -59.17 -53.24 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.46 -70.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 2.3 pp -53.25 -32.16 47.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.7 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -55.69 167.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 47.2 t -114.93 -58.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.56 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 7.3 ptm -161.74 147.75 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.86 130.52 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 5.8 t70 -155.79 171.44 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.445 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 90.8 m95 -87.51 106.8 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -108.2 151.42 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -104.3 131.36 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.516 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 76.2 t-105 -97.71 98.05 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.4 m -93.94 126.32 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.09 125.56 61.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.1 OUTLIER -90.94 117.4 29.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 15.6 mttt -112.95 171.18 4.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 86.53 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.526 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 89.06 26.2 26.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.38 154.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -138.39 134.88 34.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -116.23 157.23 25.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.65 130.79 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.9 m-85 -128.91 138.6 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 16.0 mttt -45.62 -47.21 14.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.3 t -147.91 175.6 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -93.0 -30.56 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.49 -92.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -57.3 -57.81 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.21 76.25 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -82.24 -8.24 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.2 t90 66.53 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 108.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.73 -58.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 178.72 43.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.11 138.64 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.439 ' CG2' ' CD1' ' A' ' 102' ' ' LEU . 46.3 t -105.78 129.92 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.32 130.65 36.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 45.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -44.21 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.08 57.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 24.4 m -95.57 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.347 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -128.75 168.2 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 138.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -115.38 -33.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 14.5 tt0 85.72 147.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.9 mmm180 -151.62 67.8 7.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.616 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.5 t80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.431 0.157 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.8 m -135.46 168.89 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 12.4 p90 -154.6 179.07 9.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -143.4 145.38 32.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 57' ' ' ILE . 4.0 tt -125.97 112.85 16.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.498 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.9 p90 -124.19 159.92 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -89.37 128.18 52.16 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.76 5.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.5 4.74 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 42.36 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -125.95 -79.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -178.31 125.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' CD1' HD11 ' A' ' 102' ' ' LEU . 3.3 pt -103.33 38.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.497 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.7 m95 -138.35 150.22 46.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -100.12 145.2 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -67.77 -41.61 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.492 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -107.44 -167.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -128.67 -145.31 5.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -39.31 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 85' ' ' PRO . 1.6 mptt -106.6 46.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 37.29 58.8 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -120.2 137.41 54.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.61 -58.56 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -164.34 151.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -79.34 -128.16 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.576 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.99 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.2 t -139.61 -53.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.2 m -83.37 -49.71 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 7.0 p90 -102.62 179.48 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -162.93 111.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.46 135.63 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt -135.44 163.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.6 ttt180 -137.78 137.96 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.426 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -109.05 179.87 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -77.68 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -118.93 163.09 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -43.13 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -63.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.18 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -49.07 -46.72 33.29 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 16.7 mmt180 -55.12 -39.01 68.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -40.52 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 45.9 m95 -60.85 -65.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.428 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.2 ppp? -54.2 -22.37 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.2 m-20 -81.69 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -46.37 -51.67 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -40.85 -65.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -44.73 -41.35 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.1 mt -67.56 -52.58 37.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -54.31 -33.49 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 121' ' ' LEU . 5.9 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -51.7 148.77 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 30' ' ' LEU . 76.4 t -88.79 -63.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.5 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.1 ptm -160.55 155.49 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -137.65 125.76 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -155.88 161.78 40.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -81.4 111.1 17.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 115' ' ' TRP . 98.4 mt -107.4 146.46 31.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -96.88 130.68 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 50.9 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 70.8 t-105 -96.77 97.72 9.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.98 131.47 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.84 119.36 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.3 OUTLIER -85.75 119.45 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 7.9 mttt -113.82 173.33 2.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 86.37 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.514 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.9 27.63 28.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.63 152.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.93 137.95 43.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.2 mp -119.32 149.78 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.78 122.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 90.0 m-85 -119.37 149.59 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 7.0 mtpt -52.03 -42.7 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -157.8 175.02 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.37 -33.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.66 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.62 94.12 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.9 mt-30 -107.45 -5.04 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 26.0 t90 62.87 158.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.07 -56.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 -179.27 41.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -139.46 146.42 40.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.53 133.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.01 138.04 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -120.8 58.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -80.18 -22.1 42.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.65 46.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.615 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 65.3 m -94.24 136.04 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 71' ' ' LEU . 37.1 mt-10 -118.99 149.8 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -108.68 135.82 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.8 pt -113.86 -29.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.5 tt0 86.67 159.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 7.1 mtp180 -171.71 85.68 0.47 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 5.3 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ARG . 14.6 m -147.79 163.16 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -135.92 167.66 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 117.09 20.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -108.18 116.71 32.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.506 ' N ' HD12 ' A' ' 71' ' ' LEU . 21.7 p90 -118.67 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 2.6 t-80 -126.78 116.95 22.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.97 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.5 mp -46.31 -25.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 74' ' ' PRO . 20.4 mt-10 64.48 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -116.46 -85.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.4 t 179.23 123.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 5.1 pt -90.89 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.455 ' CH2' HD23 ' A' ' 97' ' ' LEU . 98.7 m95 -143.74 146.21 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.78 143.47 31.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.5 m -58.39 -33.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.73 -134.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.558 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.38 -145.68 4.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.43 74.87 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -141.64 127.5 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.2 -62.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.8 t -147.04 163.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.82 -56.04 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.455 HD23 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.02 -179.35 4.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -128.33 -40.65 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -52.87 4.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 12.5 p90 -102.85 -179.21 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -165.37 109.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.1 mm -90.62 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.6 mt -134.94 154.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -130.83 134.41 46.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.44 167.48 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -66.11 -62.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -118.37 144.78 45.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 14.9 tt0 -37.98 -48.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.2 -55.85 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.066 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.14 -57.57 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.1 -48.78 61.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.7 mtm180 -55.07 -33.58 62.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -33.64 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.5 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 33.8 m95 -67.83 -60.2 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.025 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.3 ppp? -57.01 -23.43 46.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 3.9 m-20 -85.0 -56.5 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -47.25 -41.36 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.0 mt -57.08 -69.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -37.23 -49.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -63.95 -50.57 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.8 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -53.17 -29.72 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -53.41 147.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.49 -63.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 15.3 ptm -162.84 156.76 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.31 127.26 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.01 169.89 23.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -85.51 112.63 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.89 160.53 17.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -120.46 123.62 43.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 67.8 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 72.8 t-105 -99.77 96.63 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 m -92.61 125.35 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 108.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.05 119.65 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD12 ' CE3' ' A' ' 115' ' ' TRP . 1.1 tt -86.4 122.85 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.8 mttm -117.29 171.53 4.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.519 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 89.29 24.91 30.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.18 157.18 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tp -141.55 133.3 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.9 mp -114.36 160.47 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.407 ' CD1' HG23 ' A' ' 50' ' ' VAL . 3.4 mp -139.43 130.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -124.52 142.63 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 2.1 mtpt -52.26 -42.29 63.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -155.33 166.35 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -46.46 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -94.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.75 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.56 75.92 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.123 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.75 -5.15 59.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.3 t90 67.98 146.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.008 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.45 -55.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.89 -175.68 41.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 141.36 46.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.407 HG23 ' CD1' ' A' ' 37' ' ' ILE . 49.0 t -103.3 128.75 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -90.5 128.01 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.21 51.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.98 -33.78 71.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.65 58.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' CB ' HD22 ' A' ' 71' ' ' LEU . 20.6 m -97.44 156.09 16.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.22 170.25 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.437 ' CG2' ' HE1' ' A' ' 116' ' ' MET . 0.0 OUTLIER -122.01 136.44 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.71 -31.47 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 28.0 tt0 87.49 154.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.245 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.9 mtt-85 -168.06 81.02 0.82 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.97 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.525 0.202 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.6 m -147.45 170.13 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 9.9 p90 -149.71 179.4 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 58' ' ' ILE . 8.7 ttpt -134.37 154.63 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 55' ' ' CYS . 5.1 tt -139.37 109.17 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -122.1 159.63 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.9 t-80 -100.33 122.3 50.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.83 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.2 mp -50.37 -33.27 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.08 52.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -112.1 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -175.21 155.74 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' CD1' HD12 ' A' ' 102' ' ' LEU . 2.1 pt -125.84 34.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -136.79 150.57 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.026 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.1 138.37 41.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.426 ' CG2' ' HE2' ' A' ' 83' ' ' LYS . 34.3 m -64.81 -43.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HE2' ' CG2' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -96.08 -165.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -136.9 -147.87 5.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.574 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -118.08 53.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . . . 37.75 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -164.3 131.27 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.81 -53.91 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -168.21 159.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.39 -104.02 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.01 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.72 -44.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.96 -53.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 2.1 p90 -90.56 166.62 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.6 mt -155.12 109.88 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -85.43 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.4 mt -136.49 145.6 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' HG22 ' A' ' 104' ' ' ILE . 3.9 ttm180 -123.71 137.75 54.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.83 -176.17 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -48.95 8.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.29 157.85 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -39.16 -57.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.67 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -40.3 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.33 -55.01 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.48 -30.38 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -34.02 37.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.561 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 47.0 m95 -70.21 -65.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.437 ' HE1' ' CG2' ' A' ' 57' ' ' ILE . 23.9 ptm -50.32 -27.46 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -82.3 -58.69 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.91 -35.61 6.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.56 -67.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -39.6 -38.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 124' ' ' LYS . 23.7 mt -75.12 -51.34 13.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.47 -60.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -58.61 -33.97 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -47.5 147.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.98 -63.74 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.676 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -154.54 162.53 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.57 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.99 121.91 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.11 171.15 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.31 117.18 25.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 107.994 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 115' ' ' TRP . 82.3 mt -118.12 147.56 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -102.03 125.53 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 47.3 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.6 t-105 -96.3 99.27 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 m -91.81 136.75 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.6 t -121.11 119.91 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -85.89 125.64 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 4.7 mttt -118.62 174.75 2.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.96 84.28 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 88.94 27.53 23.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.86 155.06 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tp -138.25 139.15 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 2.5 mp -120.09 156.46 30.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.09 125.72 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CE1' HG21 ' A' ' 29' ' ' VAL . 68.0 m-85 -120.78 150.6 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 13.4 mtpt -54.99 -39.99 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -161.01 173.01 15.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.65 -27.72 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -72.03 -92.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -47.24 -55.97 7.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.6 90.82 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.1 mt-30 -109.13 -3.94 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.8 t90 61.25 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.16 -56.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.6 173.35 46.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -123.75 148.22 46.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -110.75 129.78 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 mt -90.8 132.3 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.78 45.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -47.04 -40.67 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.0 60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 6.9 m -96.71 157.92 15.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.86 168.22 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.25 133.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.34 -28.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 12.4 tt0 82.33 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -162.42 71.95 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.95 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.533 0.206 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.77 169.2 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.4 p90 -150.53 178.89 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 130.23 23.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 57' ' ' ILE . 4.5 tt -115.93 109.35 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -116.02 166.41 12.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.9 t-80 -111.35 124.02 33.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.6 tt0 81.83 33.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -93.17 -172.74 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m -103.51 119.71 39.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 102' ' ' LEU . 3.7 pt -85.67 49.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.528 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.1 m95 -147.56 146.83 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.39 135.34 40.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.52 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -164.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.39 -150.68 6.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -20.77 16.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 87' ' ' GLY . 9.0 mmtp -131.86 57.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 30.24 67.52 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.563 1.164 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -130.94 129.66 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.99 -51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.461 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -169.23 158.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -84.3 -83.18 0.98 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.96 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.528 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.6 t -134.29 -44.58 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -54.4 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.8 p90 -101.94 -176.13 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 1.5 mt -165.4 110.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -90.0 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -132.65 161.94 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' LYS . 62.4 ttt-85 -134.0 129.26 35.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.15 176.78 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.32 -59.82 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -131.47 164.59 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 4.3 tt0 -41.07 -52.55 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -47.89 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -69.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.91 -48.02 14.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.2 mmt180 -54.97 -38.29 67.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.357 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -40.0 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.281 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.676 ' CZ2' ' SD ' ' A' ' 10' ' ' MET . 44.9 m95 -62.45 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 1.6 ppp? -54.46 -20.52 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 116' ' ' MET . 16.5 m-20 -85.03 -60.11 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.43 -46.01 37.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.6 mt -50.88 -69.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -37.25 -52.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.04 -54.03 49.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.32 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.9 pp -53.22 -33.62 53.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mttm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -53.72 168.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.791 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 43.0 t -115.37 -59.84 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.566 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 7.1 ptm -160.24 148.13 16.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.86 130.82 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -156.21 171.61 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -89.11 106.0 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 mt -107.86 160.65 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' ARG . 17.7 mttt -110.65 122.67 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 32.6 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.544 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 74.0 t-105 -99.75 96.82 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -88.68 128.57 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.5 t -111.91 121.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.1 OUTLIER -87.49 117.98 26.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 17.4 mttt -112.49 171.3 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -75.09 86.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.52 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 89.85 25.57 26.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.21 161.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tp -144.92 136.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 2.0 mp -117.46 153.78 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.02 122.33 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 55.0 m-85 -120.75 148.55 43.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 8.1 mttt -52.47 -40.87 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -157.87 173.86 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.544 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.34 -29.13 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -67.27 -102.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.53 93.77 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -106.88 -4.14 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.8 t90 64.15 155.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.4 t -133.25 -56.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.22 176.11 43.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -133.38 142.63 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.88 133.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.58 129.16 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 mt -101.54 51.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 5.4 m120 -73.29 59.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' ASN . . . 84.3 50.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 73.8 m -94.55 144.97 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -116.79 164.29 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -119.43 139.15 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -113.61 -32.55 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 21.3 tt0 85.07 151.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -154.29 68.35 5.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.541 1.811 . . . . 0.0 110.969 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 9.7 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.495 0.188 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.4 m -146.85 166.55 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.3 p90 -148.89 -179.2 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -145.75 141.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 57' ' ' ILE . 2.8 tt -121.82 119.08 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 50.7 p90 -127.72 173.37 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 11.7 t-80 -109.44 131.08 22.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 mp -60.67 -19.05 57.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 67.26 59.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -115.12 -93.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -163.99 137.32 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 7.2 pt -107.68 35.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.5 m95 -132.77 138.89 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.35 141.07 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.4 m -57.78 -34.15 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -128.57 -133.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.67 -147.44 4.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -75.01 -48.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.11 40.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.42 75.75 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ALA . 7.1 mt-10 -144.32 133.41 22.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.66 -56.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.1 p -168.6 166.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.474 ' N ' ' CG2' ' A' ' 90' ' ' VAL . . . -116.59 -71.32 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 7.1 t -145.23 -50.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -81.94 -44.52 16.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 22.7 p90 -113.39 -174.87 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 2.1 mt -163.73 115.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.408 HD11 ' CB ' ' A' ' 70' ' ' LYS . 4.8 mm -95.66 134.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.3 mt -133.46 162.36 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LYS . 14.3 ttt180 -136.62 134.28 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -106.54 158.88 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -118.04 152.91 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.593 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.8 tt0 -40.93 -60.81 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' ASP . 67.3 m -43.29 -62.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' SER . 26.2 t0 -39.9 -65.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.466 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.87 -40.74 42.84 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -58.6 -43.42 89.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -29.82 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.566 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 49.3 m95 -73.36 -62.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.5 ppp? -57.65 -21.04 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.7 m-20 -85.27 -60.52 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -46.03 -52.25 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ALA . 8.5 mt -40.35 -64.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.7 -39.91 12.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 124' ' ' LYS . 27.1 mt -68.17 -53.86 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.82 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -52.17 -35.89 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 121' ' ' LEU . 15.8 mttt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -47.29 143.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 30' ' ' LEU . 75.4 t -85.08 -62.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 16.4 ptm -161.5 156.86 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.99 127.81 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -155.52 168.38 27.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -87.76 106.2 17.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.28 138.58 42.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -91.76 135.82 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 75.5 t-105 -97.75 100.05 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.0 m -91.68 127.92 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.41 118.09 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -86.25 120.94 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.3 mttp -114.12 174.64 2.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.0 87.22 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 85.98 26.7 33.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -167.81 147.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.52 142.1 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -122.86 156.01 35.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.94 122.23 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 84.9 m-85 -120.76 145.17 47.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 7.4 mtpt -51.12 -45.02 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -150.82 164.13 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.496 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.19 -48.26 36.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -87.51 63.73 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.67 90.78 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.6 -2.44 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.612 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.6 t90 67.69 139.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.75 -48.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.23 164.24 32.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -119.67 145.61 46.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.0 130.13 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.5 mt -89.86 134.61 34.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.65 48.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -56.57 -40.06 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -171.04 58.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 28.3 m -96.09 161.75 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -131.3 167.56 19.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.482 ' HB ' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -120.29 139.66 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -117.59 -33.43 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 6.9 tt0 88.2 145.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -155.62 71.0 5.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.8 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.35 162.73 32.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.5 p90 -146.31 176.92 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.65 130.02 23.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 57' ' ' ILE . 5.3 tt -115.75 110.6 19.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.525 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 34.2 p90 -119.87 169.1 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.6 t-80 -104.5 124.53 36.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.64 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 3.5 mp -69.67 -7.86 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 3.5 mt-10 71.63 36.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -93.29 -172.08 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -102.54 114.22 28.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.8 pt -83.02 50.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.9 m95 -149.96 135.61 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.64 144.25 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.2 m -61.41 -33.14 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.55 -129.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -148.05 -146.47 4.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.04 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.99 49.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.31 75.18 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -140.09 131.61 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.74 -54.74 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -166.79 150.4 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.515 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -77.29 -110.46 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.02 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.547 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 36.5 t -145.15 -48.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -82.49 -42.43 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 27.7 p90 -116.25 -174.46 2.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -165.4 123.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 15.1 mm -98.76 135.42 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.9 mt -135.9 145.47 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' N ' HG22 ' A' ' 104' ' ' ILE . 22.3 ttm-85 -119.9 131.19 55.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.06 169.6 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -70.41 -62.11 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.93 166.64 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -48.87 51.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.1 m -53.8 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' SER . 1.0 OUTLIER -39.81 -65.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.01 -47.37 48.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 8.1 mmm180 -55.18 -37.48 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -37.31 58.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 42.2 m95 -64.76 -62.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.1 ppp? -56.37 -23.09 35.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 116' ' ' MET . 32.1 m-20 -82.47 -64.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.57 -43.75 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mt -52.39 -65.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 42.1 mt-10 -42.51 -37.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 124' ' ' LYS . 28.8 mt -74.73 -52.68 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -54.79 -36.92 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -48.34 156.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.02 -63.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.674 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.61 155.86 42.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.48 119.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HB2' ' SD ' ' A' ' 10' ' ' MET . 1.1 t0 -156.48 168.42 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -85.56 109.78 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 115' ' ' TRP . 38.2 mt -108.39 144.07 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -98.19 135.71 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 85.2 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 62.5 t-105 -101.24 97.24 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.8 m -90.93 132.29 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.58 118.35 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' MET . 0.7 OUTLIER -85.46 127.2 34.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 8.0 mttt -119.1 175.33 2.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.529 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 88.95 26.73 25.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.53 151.6 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.02 147.59 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -127.47 151.42 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 125.18 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.7 m-85 -123.29 146.55 47.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.0 mtpt -53.44 -38.83 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.7 t -159.92 175.67 12.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.432 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.95 -29.37 17.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -63.68 -98.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.28 -63.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 70.71 1.28 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.37 -7.28 59.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.7 t90 67.9 156.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 66.1 t -131.23 -51.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.69 175.35 47.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -132.07 145.91 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' A' ' 102' ' ' LEU . 43.9 t -111.66 130.27 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -90.26 130.45 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 53.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.58 -35.63 80.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.13 58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 27.6 m -97.4 149.26 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 27.3 mp0 -117.64 174.18 6.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -133.02 138.59 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -118.34 -32.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.2 tt0 89.48 151.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.4 mtm-85 -163.58 88.41 1.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 113' ' ' ARG . 5.1 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.492 0.187 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' ARG . 73.0 m -144.86 160.63 40.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -138.17 173.47 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -131.79 137.86 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 57' ' ' ILE . 5.1 tt -126.71 109.88 12.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -114.22 168.1 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.1 t-80 -119.68 124.82 27.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.39 -26.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 64.94 56.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -109.33 -91.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t -173.17 120.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 100' ' ' SER . 4.0 pt -91.82 40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.9 m95 -138.26 139.16 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.12 145.13 40.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.73 -29.33 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.81 -132.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.31 -146.27 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 48.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.96 81.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.56 136.96 28.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.56 -58.07 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -165.2 152.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.06 -108.31 0.41 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.5 Cg_endo -74.94 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.1 t -136.8 -55.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 79' ' ' ILE . 66.3 m -82.28 -53.94 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 4.7 p90 -96.46 177.25 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 1.7 mt -161.65 119.96 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mm -97.85 134.7 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 3.6 mt -133.37 153.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -129.5 132.92 47.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.87 157.34 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -66.21 -56.48 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.66 142.41 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 16.0 tt0 -38.81 -50.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.39 -62.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -45.36 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.59 -51.02 10.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 67' ' ' PHE . 5.4 mtm180 -56.9 -33.31 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -38.14 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.674 ' CZ2' ' SD ' ' A' ' 10' ' ' MET . 48.7 m95 -63.92 -57.73 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.471 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.6 ppp? -61.35 -23.01 65.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 9.4 m-20 -83.29 -62.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.51 11.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.09 -68.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.458 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 45.3 mt-10 -39.08 -38.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 124' ' ' LYS . 20.2 mt -73.19 -56.53 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.34 -63.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -53.82 -36.23 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.0 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -46.86 145.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 30' ' ' LEU . 73.3 t -83.14 -63.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.57 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 15.3 ptm -161.95 157.33 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.48 127.6 22.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.04 169.15 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -85.38 106.18 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -108.04 137.2 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 tttt -95.37 131.6 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 40.4 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 72.5 t-105 -97.93 98.51 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.27 128.58 39.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG23 ' CE1' ' A' ' 38' ' ' TYR . 66.1 t -109.8 119.89 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -86.22 121.61 29.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.6 mttt -115.78 172.79 3.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.526 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.69 25.73 31.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 1.0 OUTLIER -167.26 152.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -135.19 138.48 43.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -119.8 159.11 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.47 132.03 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.43 ' CE1' HG23 ' A' ' 29' ' ' VAL . 70.9 m-85 -129.29 139.76 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 5.8 mttt -45.59 -41.62 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.5 t -156.72 175.95 13.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.04 -35.52 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -53.84 -68.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.99 78.86 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.22 -6.29 48.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 25.4 t90 68.23 149.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.7 -54.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.46 47.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.71 137.91 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.51 127.43 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -90.68 135.06 33.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.92 52.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -55.95 -39.3 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.53 63.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 26.5 m -100.73 152.69 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -119.19 174.02 6.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.04 132.03 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -113.02 -32.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER 89.5 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -156.8 70.36 4.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.458 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 2.8 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.4 m -142.42 162.22 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.5 p90 -138.43 173.38 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 135.72 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 55' ' ' CYS . 5.3 tt -121.75 112.8 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -118.03 168.02 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 5.5 t-80 -116.31 123.64 30.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.2 Cg_endo -74.98 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 8.8 mp -46.32 -26.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' PRO . 26.1 mt-10 65.78 59.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -115.84 -81.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.85 125.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' CG2' ' HB2' ' A' ' 73' ' ' HIS . 4.8 pt -96.4 40.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.5 m95 -138.35 151.18 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.63 139.42 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 29.3 m -66.87 -37.6 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 82' ' ' VAL . 1.9 mtmt -103.38 -166.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.512 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.09 -147.0 6.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.536 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.02 -47.8 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -32.93 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.43 58.93 0.26 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.6 mp0 -129.61 140.23 51.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 0.722 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.49 -53.71 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.2 p -168.19 150.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.478 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.89 -103.48 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.1 Cg_endo -75.05 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 14.7 t -135.29 -46.6 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -83.88 -54.46 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 19.2 p90 -101.29 -177.3 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -165.96 110.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.19 136.03 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -135.32 145.46 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.439 ' N ' HG21 ' A' ' 104' ' ' ILE . 32.9 ttt85 -121.46 128.04 51.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.97 171.27 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -68.43 -60.76 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.6 153.19 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.8 tt0 -38.67 -54.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -46.99 -64.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.24 -68.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.68 -50.59 10.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -53.92 -34.41 59.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -38.69 54.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.262 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.57 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 44.2 m95 -63.29 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 21.9 ptm -47.76 -32.31 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.28 -56.55 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.01 -43.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -56.19 -68.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -35.58 -50.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.69 -51.88 65.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.64 -68.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -52.46 -34.6 49.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 95.04 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.67 77.77 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.94 -61.86 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -179.05 -57.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.024 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -100.27 163.65 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.95 -49.17 81.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -49.42 147.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 30' ' ' LEU . 79.3 t -89.43 -64.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.478 ' HG2' ' CB ' ' A' ' 30' ' ' LEU . 13.0 ptm -159.6 156.43 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.51 129.34 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -155.96 164.92 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.554 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 88.1 m95 -85.51 106.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.42 150.24 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.4 mttt -96.85 136.89 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.574 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -110.95 145.96 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -37.39 124.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.95 81.81 1.38 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -76.91 -22.49 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.67 -51.37 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.72 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -134.95 140.18 45.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 37.5 m95 -46.48 144.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -108.08 120.98 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.4 tttt -86.35 93.89 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 72.8 mt -96.11 168.81 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 69.4 t-105 -98.4 98.39 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.5 m -93.92 132.36 38.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.87 119.8 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.1 OUTLIER -85.86 116.63 24.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.8 mttt -110.78 173.41 2.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 89.66 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 85.21 27.18 34.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -167.74 158.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.723 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tp -139.18 136.05 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -115.85 154.76 29.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.35 130.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 96.4 m-85 -130.08 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 15.6 mttt -51.17 -42.61 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 2.7 t -156.1 175.16 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.95 -31.71 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -58.36 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.33 -66.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.74 68.56 1.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -78.58 -9.46 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 29.5 t90 67.16 145.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.77 -55.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 173.54 46.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -125.45 143.51 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 0.726 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.474 ' CG2' ' CD1' ' A' ' 102' ' ' LEU . 49.1 t -113.23 135.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.6 mt -98.63 137.09 37.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 47.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -51.82 -36.97 49.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.04 58.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 17.7 m -97.78 159.13 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -126.97 166.8 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.475 ' CG2' ' HE3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -117.89 138.89 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.84 -31.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 69' ' ' PHE . 11.4 tt0 84.11 155.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -164.16 67.21 1.45 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -8.31 19.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m 53.36 174.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -133.83 100.44 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -171.04 72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.95 -111.84 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.2 t80 -160.12 135.57 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.73 173.84 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.3 p90 -156.65 179.48 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -141.79 127.77 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.4 tt -111.89 111.87 23.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.496 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 37.5 p90 -122.92 173.84 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -106.7 127.56 27.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.97 6.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -91.54 25.23 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.5 mt-10 36.49 90.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.26 -173.91 3.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 p -98.03 108.43 21.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 pt -84.27 49.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.3 m95 -147.85 137.78 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.99 143.65 43.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -58.26 -33.35 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.19 -134.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.74 -145.25 4.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.94 -50.34 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -97.08 40.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.8 64.52 2.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -130.89 131.92 44.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -42.88 -60.82 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.6 t -149.39 156.76 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.49 -66.16 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.26 169.87 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.47 93.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 t -116.35 -161.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -42.39 159.99 0.19 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.0 40.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.84 165.83 32.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.99 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.489 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 23.0 t -141.47 -44.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -55.06 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 9.8 p90 -97.05 178.93 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.474 ' CD1' ' CG2' ' A' ' 50' ' ' VAL . 1.7 mt -163.04 110.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.5 mm -87.75 132.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.3 mt -132.66 160.86 42.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 21.1 ttt-85 -135.95 139.37 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.13 177.37 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -66.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 m -117.64 154.74 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -43.15 -40.72 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 m -58.49 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.59 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.69 -46.09 59.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.539 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -55.88 -35.17 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -35.26 55.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.476 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 47.5 m95 -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.475 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 1.9 ppp? -55.0 -22.79 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' MET . 30.3 m-20 -82.72 -60.62 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -48.28 -49.1 34.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -45.58 -60.27 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -47.45 -39.68 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' SER . 27.3 mt -71.2 -53.49 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.01 -63.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -53.79 -36.08 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 121' ' ' LEU . 11.0 mmtt -86.28 12.65 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -111.09 -24.03 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.12 163.24 1.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.1 m 46.08 77.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.36 160.25 14.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.34 132.26 48.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -104.27 160.53 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.78 75.85 0.31 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.1 -66.71 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 -63.54 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -49.53 146.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 30' ' ' LEU . 59.9 t -86.72 -64.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.514 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 15.8 ptm -160.27 157.08 27.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.1 128.98 23.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -155.86 170.37 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.6 m95 -87.44 109.77 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD22 ' NE1' ' A' ' 115' ' ' TRP . 19.3 mt -112.67 135.83 52.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.58 132.06 34.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -103.35 144.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.518 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.92 135.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.34 56.72 2.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -41.41 -49.07 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -65.56 -69.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -147.29 -54.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 p -121.63 157.35 31.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 32.1 m95 -59.37 159.52 7.84 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.7 m -125.38 123.75 40.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.3 tttt -84.45 94.36 8.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.5 mt -100.93 169.56 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 75.2 t-105 -99.56 97.29 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.2 134.79 34.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.346 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.81 119.64 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -86.1 116.18 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.3 mttt -112.28 172.41 3.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 89.68 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.52 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 85.23 26.77 35.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -167.52 157.05 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.88 155.82 28.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.81 126.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 73.3 m-85 -124.93 139.18 54.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 10.4 mttt -46.6 -49.27 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -148.3 172.29 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.486 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -89.63 -28.91 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -46.91 -67.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.96 88.59 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.53 -6.18 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 67.9 152.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.43 -56.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.05 169.16 41.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 m -120.79 137.04 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 102' ' ' LEU . 45.9 t -104.6 128.04 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.82 130.84 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.01 49.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -34.86 64.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -178.53 62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 33.5 m -99.67 163.83 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.68 174.96 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CG2' ' HE2' ' A' ' 116' ' ' MET . 0.0 OUTLIER -128.72 142.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pp -123.51 -35.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.6 tt0 91.82 153.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -166.54 74.16 1.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.39 16.74 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m 52.82 -179.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.949 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -71.42 85.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 3.6 mmtm 60.39 114.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 64' ' ' LYS . 5.4 m-20 168.68 71.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.99 -100.02 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.8 t80 -177.69 126.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.4 m -140.83 163.11 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 108.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.1 p90 -143.52 176.23 9.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' CG ' HD12 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -135.37 130.14 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 57' ' ' ILE . 4.8 tt -120.19 110.48 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -117.32 168.61 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.7 t-80 -112.27 121.5 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.03 -26.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 65.21 60.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -117.2 -82.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -170.15 141.25 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 73' ' ' HIS . 1.6 pt -117.23 25.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.401 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 95.9 m95 -132.66 143.17 49.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.014 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.05 159.17 27.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.6 m -74.27 -33.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.59 -133.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -146.46 -144.93 4.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.05 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.09 35.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.24 60.36 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.4 133.2 50.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.58 -60.12 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.91 156.21 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.18 -68.65 1.0 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 171.25 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.73 119.97 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p -141.35 -168.84 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -40.77 159.19 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.472 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -23.02 14.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 52.27 178.14 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.96 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 m -139.75 -46.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 p -92.59 -55.35 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 21.9 p90 -95.54 177.81 5.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' CD1' HG23 ' A' ' 50' ' ' VAL . 1.3 mt -159.18 110.33 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.46 HD12 ' CG ' ' A' ' 70' ' ' LYS . 18.9 mm -84.15 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.3 mt -135.68 163.54 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.41 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 14.3 ttm180 -135.25 139.16 44.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.41 168.33 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.28 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.12 168.38 10.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.38 -54.1 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' ASP . 19.2 m -51.21 -59.64 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . 4.1 m-20 -40.14 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.28 -53.1 8.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -49.88 -35.4 23.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -38.06 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.514 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 37.8 m95 -64.3 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.469 ' HE2' ' CG2' ' A' ' 57' ' ' ILE . 21.9 ptm -51.08 -27.16 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.45 -62.42 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -45.29 -35.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.87 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 123' ' ' LEU . 52.9 mt-10 -38.65 -37.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 124' ' ' LYS . 18.9 mt -75.97 -53.14 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -59.34 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -56.29 -33.97 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.8 mmtm -86.67 12.91 9.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.65 -32.08 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.01 176.51 23.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.39 22.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -175.59 165.42 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.5 m -143.5 100.75 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t 66.0 81.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -172.03 133.08 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 90.45 0.11 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.5 85.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.94 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -70.22 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -52.76 149.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 30' ' ' LEU . 72.4 t -91.42 -62.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.533 ' HE2' ' CD1' ' A' ' 115' ' ' TRP . 16.3 ptm -160.4 157.19 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.84 127.66 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -155.72 169.08 25.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.3 m95 -87.85 106.3 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 107.96 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.1 mt -106.12 141.88 36.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -93.13 130.97 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.444 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -107.68 152.02 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 4.0 ttt85 -40.01 128.48 2.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.467 ' CA ' ' HA ' ' A' ' 23' ' ' TRP . . . -92.84 167.07 29.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -151.35 -51.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD2' ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -55.35 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -114.7 -46.74 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 t -155.08 -173.71 4.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CE2' ' HA ' ' A' ' 17' ' ' ARG . 11.4 m95 -64.61 160.3 20.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.0 m -113.05 126.0 55.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -91.69 90.47 7.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.4 mt -93.5 169.51 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -95.98 97.93 9.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.2 m -90.66 135.42 33.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -119.29 118.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -86.04 120.08 27.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.4 mttm -113.11 173.95 2.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -74.99 87.04 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.532 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.39 25.73 32.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 1.1 m -167.45 153.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -134.66 142.05 46.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -122.01 155.98 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.69 126.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 87.4 m-85 -124.39 144.68 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 17.7 mttt -50.67 -52.95 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.39 -40.9 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' GLN . 6.5 mmtt -39.63 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 2.9 p30 -88.7 -54.56 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 77.6 88.22 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.38 -4.42 58.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.4 t90 68.15 153.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.963 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.75 -53.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.32 176.32 45.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.578 1.174 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -133.33 142.06 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 102' ' ' LEU . 47.5 t -111.1 129.55 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 mt -96.57 134.93 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -108.09 54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 67.6 m-80 -70.95 59.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 53' ' ' ASN . . . 83.32 53.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 74.1 m -97.19 156.69 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -125.87 165.45 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.515 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.1 OUTLIER -122.64 139.32 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.3 pt -114.56 -32.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.0 tt0 84.94 149.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.429 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 3.6 mtm180 -158.05 69.2 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.17 20.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m 57.96 177.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -46.14 -64.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -152.77 116.8 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 176.77 60.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.19 -99.12 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.4 t80 -174.86 138.42 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -149.88 167.92 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.266 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.43 176.54 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.38 129.12 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 tt -113.52 115.73 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -120.15 170.28 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 75' ' ' LEU . 8.9 t-80 -107.49 126.71 29.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -40.36 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 73' ' ' HIS . 5.8 mp -59.54 -18.95 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.99 53.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.61 -84.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -174.02 145.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.6 pt -116.04 49.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.0 m95 -146.52 138.72 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 146.6 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.79 -32.85 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' CD ' ' HA2' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -125.04 -129.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -148.65 -145.54 4.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.577 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.96 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -93.38 46.54 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 83' ' ' LYS . . . 37.87 70.7 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.053 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 83' ' ' LYS . 12.2 mt-10 -136.05 135.49 39.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.84 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.48 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -164.08 154.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -90.28 -97.07 1.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.2 177.88 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -125.09 128.02 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.425 ' CG2' ' CE ' ' A' ' 39' ' ' LYS . 41.7 p -139.49 -165.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.458 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.2 mt-30 -39.45 159.05 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.27 165.04 21.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.531 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.0 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 15.4 m -137.5 -45.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 p -79.84 -53.0 7.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 19.9 p90 -105.76 -174.59 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.487 HD11 ' CZ2' ' A' ' 80' ' ' TRP . 1.9 mt -165.44 120.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mm -94.22 135.8 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.1 mt -136.35 163.28 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.43 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 35.7 ttt180 -138.91 146.02 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -118.02 173.91 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.05 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.59 151.38 40.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -39.08 -40.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -67.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -42.26 -56.06 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.402 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -55.7 -47.19 79.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -56.1 -34.99 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -34.79 49.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD1' ' HE2' ' A' ' 10' ' ' MET . 30.6 m95 -64.92 -59.25 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.01 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.515 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 ppp? -60.21 -24.92 65.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 5.2 m-20 -81.11 -53.45 6.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.8 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 12.4 mt -52.41 -68.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -37.3 -54.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 32.4 mt -60.27 -52.89 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.59 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -52.88 -30.36 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 mmtt -90.13 21.57 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER 62.57 127.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.87 -128.08 5.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.85 15.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 m -93.42 149.91 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.07 116.23 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.29 133.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -67.18 94.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.66 88.46 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -87.93 138.25 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.66 171.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.93 -51.56 23.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -49.86 147.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 30' ' ' LEU . 69.9 t -87.84 -63.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.556 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 12.6 ptm -160.94 157.23 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.85 129.01 22.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -156.07 168.48 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.522 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.6 m95 -85.7 106.29 16.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.8 mt -105.12 146.49 29.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -96.39 136.83 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.422 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.8 mp -113.14 153.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ILE . 19.4 ttt85 -38.19 137.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.99 94.23 1.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.3 p -94.02 -26.12 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.4 -71.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.58 -47.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 t -137.98 166.23 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 105' ' ' ARG . 33.7 m95 -53.56 130.8 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.2 m -92.36 130.06 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 6.7 tttt -96.55 88.47 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.3 mt -90.93 170.3 10.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 73.4 t-105 -101.51 96.03 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 m -89.94 137.88 31.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.39 119.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -85.99 118.81 25.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.2 mttt -113.71 173.76 2.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 86.67 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.511 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.54 27.07 30.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.44 150.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.86 138.51 45.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.03 157.13 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -136.95 135.9 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.44 140.9 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.5 mttt -49.04 -38.11 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -164.51 173.35 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -86.14 -45.54 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -94.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.09 -70.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.79 0.88 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.48 -4.4 55.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 24.5 t90 68.03 149.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.34 -53.49 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.83 -177.81 46.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 138.48 45.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.43 ' CG2' HD11 ' A' ' 102' ' ' LEU . 56.3 t -106.28 129.09 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 81' ' ' ALA . 9.9 mt -90.93 134.06 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -117.38 36.28 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.62 -44.87 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.34 59.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 23.2 m -97.67 160.4 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.16 170.47 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -124.79 135.58 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -112.04 -31.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.9 tt0 87.82 154.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -164.47 85.84 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 18.5 Cg_endo -74.93 2.09 6.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.41 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 m 41.22 58.34 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt 66.18 -97.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 113.11 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 61' ' ' PRO . 1.0 OUTLIER 174.74 52.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.44 -113.8 3.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 4.1 t80 -171.42 116.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 39.3 m -131.23 161.57 31.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.7 p90 -138.7 -179.94 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.3 132.99 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 57' ' ' ILE . 5.7 tt -119.65 112.7 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.521 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 42.1 p90 -122.94 168.06 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -101.28 126.38 34.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.546 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.59 -11.87 61.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.19 64.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -114.92 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -177.09 135.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 102' ' ' LEU . 6.0 pt -108.23 36.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.532 ' CH2' HD23 ' A' ' 97' ' ' LEU . 99.2 m95 -137.36 154.76 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -108.51 141.29 40.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 83' ' ' LYS . 32.1 m -66.23 -43.12 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' CE ' HG23 ' A' ' 82' ' ' VAL . 2.2 mtmt -97.71 -166.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.533 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -130.23 -146.44 5.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.0 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' CE ' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -83.88 -33.5 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.56 56.0 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -127.39 144.77 51.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.54 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.583 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -167.08 154.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -85.6 -92.45 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 163.78 12.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.0 mt -77.67 -52.54 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.8 m 50.33 178.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -49.59 163.86 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.47 41.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.532 HD23 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -145.37 168.13 12.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.02 -163.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.46 -47.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 p -82.53 -48.86 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 16.5 p90 -107.87 -174.88 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 2.0 mt -165.58 113.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 6.2 mm -93.31 134.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.5 mt -133.25 163.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 64.5 ttt180 -139.79 137.11 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.43 165.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.3 m -67.91 -72.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -105.2 145.27 30.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -41.96 -50.81 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.61 -44.63 37.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.06 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -49.1 -55.19 12.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 5.0 mtm180 -48.06 -32.61 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -35.73 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.556 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 49.3 m95 -67.08 -57.05 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.486 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 ppp? -61.23 -20.77 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 -58.24 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.77 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -42.45 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.474 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 53.4 mt-10 -40.33 -44.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.5 mt -67.3 -51.44 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.43 -67.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -53.1 -33.83 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -90.27 20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER 61.7 128.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.73 -126.46 0.26 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.04 42.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.5 p -84.67 140.31 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.2 p -109.51 96.57 6.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -61.62 129.93 43.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 m 62.88 98.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.51 -58.24 1.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.42 84.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -139.16 166.97 23.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.7 -52.43 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -48.24 146.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 30' ' ' LEU . 76.5 t -87.79 -63.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.566 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 16.6 ptm -160.06 157.33 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.87 126.77 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 10.9 t0 -155.74 170.51 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.423 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 82.3 m95 -85.33 110.8 19.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 115' ' ' TRP . 27.1 mt -116.93 145.25 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -95.34 136.72 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -117.91 117.75 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -87.22 -169.97 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.55 47.41 89.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -121.24 -64.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD1' ' HG2' ' A' ' 95' ' ' GLN . 31.7 mt -139.08 -82.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.11 -50.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -111.45 171.78 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.058 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 17' ' ' ARG . 27.5 m95 -68.82 -174.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 m -127.29 -47.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 78.18 77.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 39.1 mt -98.67 172.25 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.2 t-105 -91.24 96.68 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.5 m -91.27 133.6 35.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 t -115.98 119.47 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -86.14 119.29 26.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.1 mttt -112.92 173.72 2.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.525 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 88.57 26.41 27.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.6 150.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tp -132.74 137.55 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -118.15 157.66 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.95 128.46 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 77.8 m-85 -124.76 149.56 47.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HE3' ' CG2' ' A' ' 94' ' ' THR . 10.2 mtpt -51.57 -43.19 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.46 ' HG1' ' N ' ' A' ' 41' ' ' GLN . 1.6 t -160.66 173.17 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.599 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.84 -45.87 9.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -79.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.37 -63.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.74 90.05 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 29.1 mt-30 -110.03 -3.06 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.3 t90 61.13 151.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -126.91 -55.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 -178.4 42.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -133.92 144.62 48.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.1 t -108.15 128.66 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.83 132.6 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.6 41.62 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -46.9 -38.35 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.96 58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 19.2 m -97.01 157.94 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.06 162.54 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' HB ' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -115.8 137.02 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -111.96 -30.69 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 14.2 tt0 83.4 146.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -152.46 68.62 7.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.55 16.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.95 176.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.84 -83.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -132.19 87.84 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.31 80.25 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.53 -116.21 0.76 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.6 t80 -154.84 131.59 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.9 m -144.53 164.51 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.9 p90 -150.49 176.11 11.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.37 145.69 35.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 57' ' ' ILE . 3.7 tt -126.53 112.87 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 37.6 p90 -122.4 167.06 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 8.6 t-80 -105.87 125.65 32.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.5 mp -55.81 -19.68 12.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 65.87 59.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -119.32 -76.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 147.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.5 pt -118.75 46.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.0 m95 -143.31 154.11 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.54 138.37 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.476 ' CG2' ' CE ' ' A' ' 83' ' ' LYS . 35.5 m -68.28 -41.31 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' CE ' ' CG2' ' A' ' 82' ' ' VAL . 1.5 mtmt -96.67 -166.61 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.43 -150.26 6.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.97 -24.54 12.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.3 mmtt -127.21 53.67 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.24 68.07 0.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -131.12 130.13 42.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.8 -50.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -170.24 160.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.77 -83.24 1.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.1 162.98 21.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -106.58 105.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 76.9 p -117.79 -166.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.46 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 6.4 mt-30 -40.26 159.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 161.0 39.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.2 OUTLIER -143.96 170.33 8.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.04 -164.91 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.552 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.4 t -144.02 -46.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -84.12 -42.94 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 14.3 p90 -114.52 -178.47 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 1.8 mt -165.59 111.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -87.8 137.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.1 mt -135.55 153.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -134.14 133.04 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.15 -176.23 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.92 -55.74 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.03 157.09 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 1.2 tm-20 -42.79 -45.22 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -64.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.09 -65.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -45.28 -53.05 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 mmm180 -48.98 -30.68 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -34.2 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.566 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 42.4 m95 -70.19 -59.93 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.9 ppp? -56.61 -23.82 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 116' ' ' MET . 14.5 m-20 -83.66 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.94 -38.4 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.73 -60.8 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 34.8 mt-10 -47.96 -39.34 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.7 mt -71.39 -51.96 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.68 -65.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -52.88 -34.16 53.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.6 mmtp -90.49 21.51 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 57.69 159.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 141.56 26.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.8 m -99.41 96.07 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -73.87 -59.22 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -150.97 148.32 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.963 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -78.31 145.72 35.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 -79.27 1.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -65.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -167.75 -64.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.5 -43.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -55.16 152.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.3 -61.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.565 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 17.4 ptm -161.73 158.85 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -143.56 124.47 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -155.7 173.4 16.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -84.93 112.08 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 79.8 mt -111.65 134.67 53.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -85.6 117.44 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.588 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -99.49 123.86 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' N ' ' CZ3' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -36.28 114.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.88 99.41 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -63.65 -11.2 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.761 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 ' CD2' ' OE1' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -69.45 -51.42 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.2 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -131.37 157.48 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CZ3' ' N ' ' A' ' 17' ' ' ARG . 75.0 m95 -58.44 155.62 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -102.41 -50.95 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tttt 74.28 100.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 12.9 mt -117.66 176.11 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.54 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.3 t-105 -92.39 95.57 9.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -89.86 132.09 35.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -114.62 120.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 1.2 tt -85.8 124.84 32.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 9.5 mttt -121.62 172.69 4.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.95 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.38 29.64 24.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -168.49 158.89 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -144.88 134.27 23.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.9 mp -115.82 153.46 31.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.09 122.31 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 64.1 m-85 -118.14 146.42 44.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 5.8 mtpt -49.89 -45.66 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -155.61 168.81 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -85.87 -32.31 21.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -61.07 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -49.44 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.45 87.27 0.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 31.5 mt-30 -102.27 -1.66 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.589 ' CH2' ' HA3' ' A' ' 84' ' ' GLY . 27.4 t90 59.91 159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.81 -55.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.32 -179.36 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -135.37 145.24 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.9 131.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -94.46 132.24 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.59 50.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -52.8 -40.29 63.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.56 59.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.517 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 13.5 m -98.17 152.88 18.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -123.14 166.46 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -118.93 133.82 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -110.9 -29.26 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.8 tt0 87.44 149.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -162.87 82.31 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -9.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 m 56.27 168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.27 90.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt 55.49 104.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 176.93 65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.08 -103.72 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 2.6 t80 -170.0 133.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ARG . 86.2 m -148.96 161.63 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.8 p90 -135.3 169.33 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -131.87 123.15 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 57' ' ' ILE . 3.2 tt -114.56 135.1 54.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.449 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 47.3 p90 -139.37 173.85 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.23 122.82 40.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.615 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.59 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.36 -16.03 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 58.42 73.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -124.96 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.6 t -179.23 126.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.6 pt -99.76 35.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.471 ' NE1' ' O ' ' A' ' 98' ' ' PRO . 99.2 m95 -136.26 155.03 50.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.32 152.9 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -68.68 -32.49 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.6 -131.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.56 -147.9 4.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.88 43.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.77 71.56 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.28 138.82 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.296 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.63 -53.23 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 p -167.94 159.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.68 -83.87 1.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.6 164.12 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mt -106.08 108.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.2 p -122.24 -172.44 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.502 ' OE1' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -41.88 161.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 159.96 40.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.2 OUTLIER -142.17 168.62 13.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.97 179.9 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.401 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.9 t -127.61 -40.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 p -87.71 -54.02 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.9 p90 -102.86 179.78 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -164.58 120.18 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.38 136.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.3 mt -135.68 159.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' N ' HG23 ' A' ' 104' ' ' ILE . 21.4 ttt-85 -139.46 148.58 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.29 168.16 10.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -61.63 -53.23 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.97 172.45 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.35 -57.99 9.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -54.98 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.16 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -52.43 -30.53 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -34.69 29.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 38.3 m95 -67.56 -55.71 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 24.2 ptm -60.68 -31.23 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.33 -53.74 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.49 -44.16 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.2 mt -55.72 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -36.62 -50.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 125' ' ' SER . 24.5 mt -64.78 -51.5 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -41.41 -66.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.3 pp -54.51 -33.11 59.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -84.79 9.54 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 p 64.82 120.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.71 163.53 10.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.1 t -45.62 -50.78 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.65 106.39 11.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -175.47 149.97 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -149.04 104.66 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.48 87.38 0.2 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t 179.74 154.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.05 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.06 -57.06 4.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -50.04 146.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.67 -63.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE2' ' CD1' ' A' ' 115' ' ' TRP . 13.9 ptm -161.29 156.95 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.23 122.49 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -155.66 156.62 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 25' ' ' LYS . 83.3 m95 -73.95 119.83 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 115' ' ' TRP . 11.9 mt -126.59 135.19 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -90.47 117.33 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -92.11 144.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 63.5 ttt180 -75.25 70.59 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . -40.1 -94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.443 HG21 ' N ' ' A' ' 20' ' ' LEU . 5.4 t -176.15 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' N ' HG21 ' A' ' 19' ' ' THR . 0.6 OUTLIER -56.65 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.11 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -11.67 60.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.529 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 10.5 m95 65.12 -172.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.6 m -139.68 117.88 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 13' ' ' TRP . 39.2 tttt -94.82 85.4 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 37' ' ' ILE . 10.0 mt -98.92 175.62 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.526 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 44.8 t-105 -99.19 97.13 8.26 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -86.55 140.84 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.253 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.2 t -122.88 120.29 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.42 123.57 31.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 8.2 mttt -118.62 172.72 3.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -74.98 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.521 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 90.94 27.16 19.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.83 158.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tp -144.16 135.03 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.6 mp -115.88 155.85 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 26' ' ' LEU . 2.8 mp -136.29 125.52 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 81.1 m-85 -124.16 139.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 16.1 mttt -44.26 -45.95 8.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 3.5 t -151.13 177.65 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.24 -35.74 14.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.28 -88.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -64.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.77 61.98 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.1 -7.57 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 28.1 t90 67.37 161.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.37 -54.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.44 173.87 46.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -128.46 141.79 51.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.0 t -107.45 130.69 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mt -94.25 131.57 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.47 41.8 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.86 -38.53 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.58 58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.502 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 27.9 m -96.38 160.02 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -127.5 169.32 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.475 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.11 134.6 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -113.05 -31.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.602 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 9.0 tt0 84.93 150.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -155.31 77.2 4.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 38.4 55.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.77 -66.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -136.01 -94.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' LYS . 37.4 m-20 36.44 58.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.71 -89.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.6 t80 -178.19 118.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.3 m -131.33 164.06 26.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.3 p90 -148.09 179.16 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -143.35 142.68 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.0 tt -125.0 114.73 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.566 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 41.5 p90 -123.8 168.52 12.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 75' ' ' LEU . 9.0 t-80 -103.71 126.24 32.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.55 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.03 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.1 mp -57.9 -21.56 44.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.0 64.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.44 -79.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 73' ' ' HIS . 5.8 pt -108.84 41.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.527 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.1 m95 -135.87 154.5 51.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.68 138.92 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -57.36 -28.7 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.4 -130.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -145.88 -146.3 4.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.03 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 37.08 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.13 76.06 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ALA . 13.3 mt-10 -140.59 135.33 31.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.89 -53.55 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.9 p -169.92 164.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 90' ' ' VAL . . . -103.24 -93.65 2.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.84 171.13 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.03 102.31 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 p -109.88 -170.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -53.96 172.59 0.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 18.3 Cg_endo -74.97 157.59 42.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.0 OUTLIER -140.76 174.59 3.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.01 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.527 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 69.1 m -142.49 -45.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 m -93.6 -52.94 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 1.4 p90 -94.87 165.06 12.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -156.28 116.91 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 70' ' ' LYS . 7.0 mm -90.22 137.95 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 8.0 mt -136.37 143.4 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.433 ' N ' HG21 ' A' ' 104' ' ' ILE . 41.7 ttm-85 -119.63 134.19 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -107.77 178.13 4.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -72.33 -68.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -118.66 171.81 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -52.92 -39.22 62.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -66.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.99 -64.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.23 -41.14 38.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.8 mmt180 -62.9 -35.97 81.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -35.13 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.561 ' CD1' ' HE2' ' A' ' 10' ' ' MET . 37.1 m95 -63.92 -58.0 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 1.8 ppp? -62.13 -21.64 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 116' ' ' MET . 0.5 OUTLIER -83.26 -58.31 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.75 -53.22 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' GLU . 8.1 mt -43.42 -69.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -35.65 -51.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 125' ' ' SER . 22.9 mt -64.74 -51.11 64.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -41.08 -66.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -54.53 -32.66 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -84.19 9.53 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 121' ' ' LEU . 6.0 t -112.24 -30.03 7.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' SER . . . 54.46 166.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.76 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.3 m -52.28 124.72 13.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.72 127.72 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -122.07 99.39 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.788 . . . . 0.0 110.004 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -52.19 147.73 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.5 73.47 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -138.03 136.07 36.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.89 170.89 19.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.052 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.52 -53.79 9.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 8' ' ' ILE . 1.4 mp -46.22 158.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 5.9 t -107.21 -63.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.675 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.9 154.71 41.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -146.07 118.41 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.86 172.67 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.475 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 83.9 m95 -87.87 128.45 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 ' CZ2' ' A' ' 115' ' ' TRP . 47.9 mt -133.44 159.08 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 7.4 mttt -115.26 119.48 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -88.29 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 33.6 ttp180 -108.78 157.66 18.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.09 50.05 4.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -127.46 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.9 mt -147.73 -160.64 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -44.03 69.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -111.73 170.62 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 17' ' ' ARG . 6.2 m0 -87.72 176.15 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.2 m -130.29 110.88 11.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.7 tttt -73.87 95.28 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 70.6 mt -100.97 169.62 8.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 68.0 t-105 -94.83 95.7 8.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 107.984 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.9 m -89.16 131.2 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.53 118.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -85.53 129.1 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.6 mttm -120.09 174.99 2.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.98 83.88 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 90.57 27.14 20.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -168.2 157.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 tp -137.4 140.52 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -120.11 155.04 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.89 122.6 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 50.1 m-85 -119.32 148.54 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 94' ' ' THR . 7.9 mtpt -53.54 -51.95 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.1 t -144.51 174.62 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.6 OUTLIER -87.9 -46.78 9.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -90.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -53.74 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 70.17 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.46 -7.0 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 31.4 t90 66.77 152.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 54.4 t -126.84 -55.44 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.26 178.22 43.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 50' ' ' VAL . 3.1 m -133.33 149.02 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 110.381 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 49' ' ' THR . 37.6 t -113.58 131.66 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -94.26 129.33 40.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 56.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -59.51 -35.13 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.74 57.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 14.4 m -96.08 156.3 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.51 169.1 14.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -121.5 133.24 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -111.79 -29.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 16.7 tt0 86.77 154.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.8 mtt-85 -168.43 78.14 0.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -8.18 19.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t 39.32 90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt 49.39 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 77.48 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -146.91 73.39 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.42 -137.83 31.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 3.1 t80 -156.43 126.48 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.0 m -143.69 167.84 21.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -142.38 -179.69 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.11 120.6 13.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 57' ' ' ILE . 4.4 tt -106.39 110.08 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 51.8 p90 -115.64 161.78 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.5 t-80 -110.16 119.31 47.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.433 1.754 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -47.95 -26.38 1.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.43 58.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -117.89 -79.81 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.64 142.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 102' ' ' LEU . 4.3 pt -115.74 39.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.2 m95 -137.88 125.99 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.28 137.98 58.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 m -55.57 -32.08 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.32 -134.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -141.99 -146.87 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.95 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -102.25 45.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.36 62.95 0.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -123.98 141.83 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.03 -55.83 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -166.4 156.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -83.62 -81.19 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 165.67 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.979 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.1 mt -106.48 104.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 42.3 p -119.93 -166.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -38.88 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 159.52 41.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.2 OUTLIER -141.5 168.57 13.55 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.97 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.4 t -141.57 -46.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -50.65 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 26.1 p90 -105.73 -175.2 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.3 mt -165.61 115.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.35 137.81 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.362 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.1 mt -134.47 161.22 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 4.7 ttt180 -135.67 141.32 44.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.29 170.28 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -73.57 -50.45 21.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.71 157.9 43.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -42.73 -60.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.46 -63.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' CYS . 18.5 m-20 -45.14 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.36 -48.04 6.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -56.5 -35.16 67.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.1 OUTLIER -71.76 -39.79 69.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.675 ' CZ2' ' SD ' ' A' ' 10' ' ' MET . 56.4 m95 -64.08 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.451 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 20.1 ptm -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -83.34 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.67 -41.29 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.87 -62.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.479 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 38.7 mt-10 -45.97 -41.05 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 124' ' ' LYS . 30.4 mt -70.32 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.24 -64.48 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -53.48 -32.92 52.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.6 mttt -89.7 21.28 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.18 -40.27 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 54.0 168.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 55.65 3.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m -110.48 117.16 32.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.1 t -130.3 -55.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -58.26 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.729 . . . . 0.0 109.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -88.04 138.36 31.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.9 72.49 1.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.33 126.63 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.28 -65.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.45 -93.28 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.93 166.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.516 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 42.2 t -110.24 -58.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.507 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 11.6 ptm -162.86 153.33 16.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.79 129.91 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 7.9 t0 -155.47 168.74 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.581 ' CE3' ' HE2' ' A' ' 25' ' ' LYS . 85.5 m95 -86.92 106.29 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.0 mt -108.98 148.57 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -95.82 136.42 36.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.23 138.36 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 10.9 ttp-105 -39.16 139.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.41 123.85 6.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' CG2' HD21 ' A' ' 20' ' ' LEU . 9.9 t -67.82 -21.53 65.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD21 ' CG2' ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.02 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.95 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.51 144.06 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -77.32 152.86 34.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.1 m -96.96 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HE2' ' CE3' ' A' ' 13' ' ' TRP . 63.0 tttt -71.14 91.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 49.3 mt -102.64 171.1 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.476 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.4 t-105 -99.41 104.81 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -96.56 131.32 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.1 t -112.28 129.17 68.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 9' ' ' VAL . 3.0 tt -94.0 124.52 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HD2' ' CD1' ' A' ' 36' ' ' LEU . 18.3 mttt -117.27 172.24 4.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 79.52 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 95.5 28.75 9.35 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -168.28 162.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -145.03 139.16 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.4 mp -121.7 157.2 31.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 51.5 m-85 -129.04 144.58 51.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 94' ' ' THR . 16.8 mttt -49.8 -41.86 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -158.12 173.55 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.81 -46.27 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.98 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.35 84.33 0.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -91.4 -7.44 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 29.4 t90 67.37 148.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 107.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.4 t -123.02 -57.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.82 -178.69 40.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -136.28 138.61 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -107.31 131.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -94.65 132.45 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -113.09 43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.68 -38.84 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.17 60.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.487 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 23.2 m -97.04 164.6 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -132.64 169.62 16.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 116' ' ' MET . 0.1 OUTLIER -122.59 136.02 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -116.69 -33.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.559 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 16.3 tt0 88.57 152.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.2 mtm-85 -163.01 70.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 54.04 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.67 -52.44 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -167.79 120.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.08 67.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.49 -98.7 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 15.6 t80 -175.64 123.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 75.1 m -139.03 163.78 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.2 p90 -144.34 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -134.97 132.72 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.5 tt -120.97 110.03 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -119.21 163.73 16.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.4 t-80 -104.35 122.03 45.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.1 mp -51.16 -22.03 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 65.44 66.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -127.26 -77.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.68 151.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 5.0 pt -125.11 35.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.0 m95 -134.17 151.87 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.32 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.19 -41.25 91.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -114.31 -161.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.556 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -125.9 -146.57 6.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -38.1 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -108.52 47.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.35 53.54 3.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -121.49 126.74 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.98 -62.59 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.9 t -145.22 157.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.51 -57.8 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.79 172.32 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.487 ' O ' ' CG2' ' A' ' 94' ' ' THR . 28.2 mt -110.02 138.16 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 32.2 p -156.4 -169.73 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -40.08 159.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.5 41.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.58 165.02 32.84 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.552 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -141.82 -48.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 p -82.18 -47.21 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 15.0 p90 -109.1 -176.08 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 0.8 OUTLIER -165.45 124.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.431 HD13 ' NH2' ' A' ' 60' ' ' ARG . 2.3 mm -103.18 135.63 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.7 mt -131.79 162.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 106' ' ' ALA . 5.3 ttp180 -134.18 139.78 46.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' ARG . . . -110.78 171.55 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -79.97 -50.16 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 151.0 49.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 9.3 tt0 -40.65 -55.58 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.83 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -44.22 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.44 -45.97 52.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -54.32 -38.63 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -28.96 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.507 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 51.5 m95 -75.16 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.484 ' HE2' ' CG2' ' A' ' 57' ' ' ILE . 22.7 ptm -52.34 -25.75 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -81.99 -60.63 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.06 -40.08 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.08 -66.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -40.69 -43.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -69.22 -53.12 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.36 -66.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -52.59 -35.27 53.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 121' ' ' LEU . 7.8 mmtt -90.34 21.9 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -42.54 -27.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 110.051 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 86.91 160.08 34.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t -138.78 -53.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.7 m -57.22 111.79 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -97.98 -58.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 64.35 131.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.2 -84.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.02 178.65 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.76 -67.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.78 -55.22 0.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -51.47 148.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 30' ' ' LEU . 55.1 t -88.97 -62.12 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.573 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.1 ptm -162.25 157.33 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.7 123.53 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.24 161.84 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -74.7 107.68 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD12 ' CZ3' ' A' ' 115' ' ' TRP . 75.8 mt -105.49 131.72 52.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 19.2 mttt -81.19 122.13 27.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.6 mp -102.46 129.34 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -35.1 134.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.07 15.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -110.81 -44.11 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD13 ' CG ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -89.44 -125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . 4.7 mmpt? -39.31 -59.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -175.91 -167.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.551 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 42.0 m95 -48.38 169.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 23.1 m -112.57 -61.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 24' ' ' THR . 2.5 tttt 73.4 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 4.0 mt -107.68 -179.56 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.487 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 t-105 -91.41 95.38 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 108.021 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.33 128.44 35.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 120.2 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.2 OUTLIER -86.22 120.8 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.1 mttt -115.88 173.08 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 87.71 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.07 27.81 27.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -168.04 158.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.88 133.34 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.8 mp -115.37 158.42 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 128.12 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -124.71 140.51 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 13.9 mttt -47.09 -45.57 22.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -151.85 174.54 13.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.25 -30.66 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -100.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -43.27 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.88 74.12 1.25 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.88 -6.46 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 25.8 t90 67.77 155.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.71 -56.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.67 -176.61 42.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -137.28 136.55 38.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.764 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.63 129.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 mt -93.2 124.99 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.19 39.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -44.2 -38.47 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.85 58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 29.7 m -97.02 156.14 16.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.2 173.94 7.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' HE3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -128.26 134.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -112.91 -32.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 20.3 tt0 88.2 157.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.444 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.1 mtp85 -163.14 68.25 1.79 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -11.45 21.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m 53.47 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -139.08 105.48 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -174.12 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.62 -102.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 4.5 t80 -172.25 128.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ARG . 5.6 m -141.25 166.73 23.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.8 p90 -148.18 177.84 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -133.47 153.88 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 55' ' ' CYS . 5.4 tt -141.27 110.64 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -119.19 173.88 6.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.3 t-80 -116.9 121.92 32.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.0 mp -51.06 -23.24 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 65.56 56.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -115.54 -80.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.45 147.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' A' ' 102' ' ' LEU . 5.0 pt -118.0 32.95 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -133.49 150.43 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.81 142.37 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.75 -40.79 89.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -115.16 -161.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -126.51 -145.75 6.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.577 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.03 -47.31 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.451 1.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -94.5 32.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.07 51.25 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.39 132.51 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.19 -59.9 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.74 155.06 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.17 -71.63 1.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.95 176.57 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.01 114.69 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' GLN . 75.9 p -138.94 -174.83 3.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 20' ' ' LEU . 2.6 mp0 -38.57 155.23 0.13 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.01 -20.25 17.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 50.65 179.3 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -141.75 -45.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.92 -54.99 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 11.7 p90 -96.9 176.1 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -159.84 109.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.9 mm -84.43 133.09 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.8 mt -132.71 161.98 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 58.6 ttt85 -139.32 132.46 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.527 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -100.92 162.28 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -55.37 35.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -135.09 172.57 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -53.5 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -64.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.527 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -48.75 -51.94 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -52.77 -33.31 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -37.02 29.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.578 ' CZ3' HD12 ' A' ' 14' ' ' LEU . 43.8 m95 -65.25 -58.13 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.957 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.459 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 20.7 ptm -56.47 -30.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.91 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.24 -32.1 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' ALA . 12.0 mt -67.07 -69.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 35.5 mt-10 -38.28 -37.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.5 mt -74.09 -51.98 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.1 -63.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -54.23 -35.56 62.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.4 mmtt -85.01 10.59 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -115.21 -31.37 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.51 -143.08 8.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.49 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -99.6 157.36 16.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.2 m -67.03 114.13 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.54 138.61 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.97 129.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.14 66.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -55.29 167.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.21 162.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.44 7.57 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -47.15 146.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.4 t -85.75 -62.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.569 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.6 ptm -162.2 157.18 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.61 127.8 24.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -155.47 170.18 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -89.59 106.95 18.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 mt -109.93 145.58 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -97.1 131.7 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.92 147.77 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 20.5 ttt85 -39.8 144.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.05 125.84 4.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.97 -17.86 11.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' ' HG2' ' A' ' 95' ' ' GLN . 3.3 mm? -79.19 -99.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -89.93 -54.72 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -163.65 179.25 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 17' ' ' ARG . 20.5 m95 -62.15 153.19 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -111.24 136.1 50.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -100.86 93.27 5.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 50.0 mt -98.55 171.58 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 74.3 t-105 -96.72 95.9 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.0 m -88.39 130.24 35.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.85 118.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.22 125.86 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.6 mttm -119.37 173.82 3.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -75.0 87.19 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.512 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.09 26.97 29.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.46 156.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -120.13 156.07 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.53 126.0 38.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -122.08 146.4 47.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HE3' ' CG2' ' A' ' 94' ' ' THR . 15.7 mttt -55.38 -50.12 70.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -145.93 166.53 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -26.31 38.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -77.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.5 t-20 -82.09 53.79 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.82 91.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 8.6 mt-30 -89.58 -3.75 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.744 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 21.6 t90 69.36 147.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.01 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.7 t -124.44 -46.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.5 -178.65 48.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -138.51 137.94 37.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -104.89 130.97 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.01 129.75 41.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.54 38.99 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.84 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 14.1 m -99.1 155.89 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG2' ' CE1' ' A' ' 72' ' ' PHE . 7.4 pt-20 -122.44 176.37 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -129.75 136.41 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.83 -30.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 1.2 tt0 85.65 148.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -162.61 75.94 2.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' PRO . 8.4 m 51.77 176.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -42.55 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -167.59 130.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' PHE . 1.1 m-20 162.06 71.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.14 -93.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 113' ' ' ARG . 10.0 t80 -172.1 116.93 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.2 m -129.7 158.39 39.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 1.8 p90 -136.96 -179.84 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 123.87 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 57' ' ' ILE . 3.7 tt -112.93 115.46 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.609 ' CE1' ' HG2' ' A' ' 56' ' ' GLU . 4.6 p90 -120.89 168.67 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.0 t-80 -106.64 121.87 43.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.92 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.4 mp -55.93 -21.29 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.95 53.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -115.76 -79.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -178.52 156.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 5.1 pt -125.96 41.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -137.65 139.88 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.16 137.45 33.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.79 -40.32 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -115.32 -159.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.85 -145.71 5.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -100.0 48.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.83 92.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -157.98 142.63 16.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -51.75 -56.92 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 89' ' ' ALA . 2.4 t -152.85 164.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.61 -50.88 1.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.78 166.98 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.2 mt -105.67 127.82 60.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.476 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 46.2 p -143.56 -166.21 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.431 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -41.78 163.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.3 40.32 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.97 164.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -143.16 -49.09 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.03 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 p90 -110.9 -176.72 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -163.55 123.09 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -100.98 137.43 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.6 mt -133.63 163.5 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 66.8 ttt180 -138.56 137.0 36.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.23 165.41 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -64.08 -59.35 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 m -121.96 156.74 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.7 tt0 -43.99 -54.18 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -68.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -42.27 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.08 -50.17 9.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.5 mtm180 -57.26 -35.12 69.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.77 -31.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.569 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 45.7 m95 -71.4 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.527 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 4.3 ppp? -59.4 -22.66 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.9 m-20 -85.75 -57.21 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.9 -43.66 28.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -41.09 -40.25 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 125' ' ' SER . 26.6 mt -72.05 -53.33 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.07 -63.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -55.93 -34.2 65.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 125' ' ' SER . 13.1 mmtt -82.48 6.59 16.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER 83.4 -50.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.93 161.17 37.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 61.24 5.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.3 p -143.69 147.03 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 m -94.46 147.52 23.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 74.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -86.36 137.23 32.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 -62.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.63 -54.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.39 141.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.02 -59.0 8.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -52.58 148.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 30' ' ' LEU . 74.7 t -87.9 -62.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.2 ptm -161.17 156.14 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.4 126.44 19.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -155.88 167.29 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 87.4 m95 -84.78 105.82 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -102.39 157.83 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -108.5 133.23 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.54 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -112.3 148.58 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -40.37 135.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . -102.62 81.72 0.4 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.7 p -38.9 -30.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.548 ' CD2' ' NE2' ' A' ' 95' ' ' GLN . 1.0 OUTLIER -78.12 -73.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.7 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.05 141.37 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.542 ' CZ2' ' HD2' ' A' ' 17' ' ' ARG . 25.1 m95 -75.63 147.46 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -99.3 115.02 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 4.1 tttt -82.98 88.32 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 71.2 mt -91.6 169.35 10.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' ' CG ' ' A' ' 41' ' ' GLN . 72.2 t-105 -98.89 96.99 8.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 108.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 m -92.6 132.62 36.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.86 119.55 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.3 OUTLIER -85.74 120.85 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.5 mttm -115.68 173.1 3.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.02 88.42 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.56 26.57 32.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.61 156.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.17 134.73 28.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.4 mp -115.58 154.87 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.34 124.19 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -119.22 147.32 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 15.2 mtpt -54.86 -36.69 65.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -162.55 173.59 13.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.587 ' CG ' ' CD2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -87.4 -46.69 9.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' GLN . 2.2 mmtt -44.47 -93.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.87 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 70.95 1.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.99 -8.62 59.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.601 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 23.2 t90 67.79 146.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG21 ' CG ' ' A' ' 39' ' ' LYS . 69.1 t -119.65 -52.17 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.16 -179.67 48.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -131.44 150.09 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' CG2' HD13 ' A' ' 102' ' ' LEU . 44.2 t -114.51 132.13 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -92.76 131.65 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.8 40.71 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -44.14 -43.21 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.47 60.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' CD2' ' A' ' 123' ' ' LEU . 6.9 m -96.23 161.54 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -124.47 175.45 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.6 pt -115.19 -34.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER 87.74 149.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 8.0 mtp180 -151.33 72.78 8.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.427 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.2 Cg_endo -74.95 -8.66 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m 50.91 179.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.979 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 99.49 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.98 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -174.91 59.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.7 -114.78 7.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 17.2 t80 -170.27 132.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.1 m -148.42 172.03 15.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.73 179.03 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -142.68 143.25 32.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -124.69 112.27 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.7 p90 -119.09 163.84 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 75' ' ' LEU . 7.7 t-80 -106.99 123.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -55.6 -20.69 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 tt0 83.13 28.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -91.71 -171.57 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -100.5 127.44 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 102' ' ' LEU . 3.2 pt -92.57 41.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.7 m95 -138.64 149.96 45.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.24 138.85 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.472 ' CG2' ' HE2' ' A' ' 83' ' ' LYS . 35.9 m -68.02 -42.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HE2' ' CG2' ' A' ' 82' ' ' VAL . 1.7 mtmt -97.14 -164.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -139.65 -148.12 5.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -25.94 11.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.7 mmtt -130.28 58.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.94 70.22 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.4 mt-10 -135.38 129.15 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.37 -57.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.601 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -165.07 156.96 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.476 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -87.46 -72.27 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -129.13 150.07 50.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 94' ' ' THR . 8.2 mt -81.96 -46.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 93' ' ' ILE . 25.9 p 40.49 -161.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.548 ' NE2' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mt-30 -50.09 164.97 0.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.66 41.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.31 163.67 35.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.416 1.745 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 17.5 t -142.79 -46.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -53.21 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 23.7 p90 -103.01 -178.19 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 79' ' ' ILE . 1.3 mt -163.64 115.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.42 HD12 ' NH1' ' A' ' 60' ' ' ARG . 17.4 mm -88.56 137.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt -136.3 158.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -137.94 138.48 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -108.73 173.29 6.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.92 -60.48 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.93 153.08 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.592 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.6 tt0 -42.51 -37.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -66.4 -59.4 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' SER . 2.0 m-20 -40.73 -60.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.434 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -53.5 -51.38 48.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -49.54 -40.15 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -34.19 67.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.531 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 42.9 m95 -69.11 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.014 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 26.3 ptm -49.76 -31.76 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.52 -54.66 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.454 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -49.34 -47.94 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -51.35 -67.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -35.92 -53.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 125' ' ' SER . 40.0 mt -59.17 -53.24 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.46 -70.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 2.3 pp -53.25 -32.16 47.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.7 mmtt -90.31 20.97 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 121' ' ' LEU . 10.6 p -43.8 -39.91 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 117.63 164.99 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 61.53 5.67 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.36 149.48 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -174.3 106.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -69.06 -58.13 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.942 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.58 142.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.67 89.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -139.01 119.74 14.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 -65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.62 -93.6 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -55.69 167.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 47.2 t -114.93 -58.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.56 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 7.3 ptm -161.74 147.75 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.86 130.52 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 5.8 t70 -155.79 171.44 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.8 m95 -87.51 106.8 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -108.2 151.42 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -104.3 131.36 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 17' ' ' ARG . 1.7 mp -102.25 143.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 4.5 tpt180 -38.8 138.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' ARG . . . -101.01 150.42 18.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.4 p -138.4 -42.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.18 -78.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -113.62 -50.51 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -159.5 -169.87 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.506 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 13.1 m95 -70.22 165.92 21.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 m -129.76 131.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.4 ttmt -91.73 100.86 13.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt -104.84 170.51 7.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.516 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 76.2 t-105 -97.71 98.05 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.4 m -93.94 126.32 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.09 125.56 61.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.1 OUTLIER -90.94 117.4 29.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 15.6 mttt -112.95 171.18 4.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 86.53 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.526 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 89.06 26.2 26.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.38 154.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -138.39 134.88 34.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -116.23 157.23 25.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.65 130.79 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.9 m-85 -128.91 138.6 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 16.0 mttt -45.62 -47.21 14.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.3 t -147.91 175.6 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -93.0 -30.56 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.49 -92.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -57.3 -57.81 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.21 76.25 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -82.24 -8.24 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.2 t90 66.53 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 108.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.73 -58.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 178.72 43.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.11 138.64 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.439 ' CG2' ' CD1' ' A' ' 102' ' ' LEU . 46.3 t -105.78 129.92 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.32 130.65 36.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 45.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -44.21 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.08 57.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 24.4 m -95.57 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.347 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -128.75 168.2 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 138.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -115.38 -33.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 14.5 tt0 85.72 147.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.9 mmm180 -151.62 67.8 7.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.05 20.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 52.6 -173.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 92.14 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.88 105.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 176.42 62.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.25 -104.58 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.616 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.5 t80 -176.78 122.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.8 m -135.46 168.89 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 12.4 p90 -154.6 179.07 9.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -143.4 145.38 32.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 57' ' ' ILE . 4.0 tt -125.97 112.85 16.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.498 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.9 p90 -124.19 159.92 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -89.37 128.18 52.16 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.76 5.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.5 4.74 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 42.36 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -125.95 -79.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -178.31 125.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' CD1' HD11 ' A' ' 102' ' ' LEU . 3.3 pt -103.33 38.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.497 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.7 m95 -138.35 150.22 46.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' CB ' ' HE3' ' A' ' 83' ' ' LYS . . . -100.12 145.2 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -67.77 -41.61 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.492 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -107.44 -167.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -128.67 -145.31 5.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -39.31 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 85' ' ' PRO . 1.6 mptt -106.6 46.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 37.29 58.8 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -120.2 137.41 54.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.61 -58.56 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -164.34 151.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -79.34 -128.16 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.02 167.72 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.48 106.25 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 95' ' ' GLN . 5.4 t -122.56 -153.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' N ' ' CG2' ' A' ' 94' ' ' THR . 1.5 mt-30 -41.47 161.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 160.63 40.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 164.87 35.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.576 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.99 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.2 t -139.61 -53.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.2 m -83.37 -49.71 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 7.0 p90 -102.62 179.48 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -162.93 111.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -89.46 135.63 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.563 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt -135.44 163.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' LYS . 4.6 ttt180 -137.78 137.96 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.426 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -109.05 179.87 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -77.68 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -118.93 163.09 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -43.13 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -63.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.18 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -49.07 -46.72 33.29 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 16.7 mmt180 -55.12 -39.01 68.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -40.52 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 45.9 m95 -60.85 -65.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.428 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.2 ppp? -54.2 -22.37 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.2 m-20 -81.69 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.477 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -46.37 -51.67 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -40.85 -65.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -44.73 -41.35 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 125' ' ' SER . 21.1 mt -67.56 -52.58 37.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.59 -66.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -54.31 -33.49 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 121' ' ' LEU . 5.9 mmtt -87.0 14.01 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 10.3 p 62.2 117.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.29 -170.22 43.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.13 12.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.0 t -147.03 -61.78 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.3 166.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -166.54 116.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.68 -58.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.58 58.0 4.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 59.79 89.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.71 178.29 7.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.93 -63.35 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -51.7 148.77 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 30' ' ' LEU . 76.4 t -88.79 -63.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.5 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.1 ptm -160.55 155.49 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -137.65 125.76 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -155.88 161.78 40.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.6 m95 -81.4 111.1 17.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 115' ' ' TRP . 98.4 mt -107.4 146.46 31.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -96.88 130.68 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -108.83 150.47 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 132.12 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.61 2.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -62.6 -34.16 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -72.97 -67.14 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.37 -49.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -122.34 146.86 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 18.9 m95 -53.47 143.09 20.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m -99.67 130.12 45.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.9 ttmt -97.11 86.37 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 50.9 mt -89.32 171.69 9.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 70.8 t-105 -96.77 97.72 9.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.7 m -91.98 131.47 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.84 119.36 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.474 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.3 OUTLIER -85.75 119.45 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 7.9 mttt -113.82 173.33 2.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 86.37 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 86.9 27.63 28.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.63 152.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 tp -134.93 137.95 43.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.2 mp -119.32 149.78 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.78 122.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 90.0 m-85 -119.37 149.59 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 94' ' ' THR . 7.0 mtpt -52.03 -42.7 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -157.8 175.02 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.37 -33.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.66 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.62 94.12 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.9 mt-30 -107.45 -5.04 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 26.0 t90 62.87 158.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.07 -56.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 -179.27 41.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -139.46 146.42 40.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.53 133.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.01 138.04 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -120.8 58.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -80.18 -22.1 42.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.65 46.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.615 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 65.3 m -94.24 136.04 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 71' ' ' LEU . 37.1 mt-10 -118.99 149.8 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -108.68 135.82 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.8 pt -113.86 -29.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.5 tt0 86.67 159.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 7.1 mtp180 -171.71 85.68 0.47 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.25 19.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m 52.29 175.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.26 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 87.0 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -154.13 73.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.58 -108.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 5.3 t80 -151.13 130.66 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ARG . 14.6 m -147.79 163.16 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -135.92 167.66 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 117.09 20.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -108.18 116.71 32.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.506 ' N ' HD12 ' A' ' 71' ' ' LEU . 21.7 p90 -118.67 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 2.6 t-80 -126.78 116.95 22.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.97 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.5 mp -46.31 -25.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 74' ' ' PRO . 20.4 mt-10 64.48 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -116.46 -85.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.4 t 179.23 123.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 5.1 pt -90.89 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.455 ' CH2' HD23 ' A' ' 97' ' ' LEU . 98.7 m95 -143.74 146.21 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.78 143.47 31.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.5 m -58.39 -33.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.73 -134.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.558 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.38 -145.68 4.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.43 74.87 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -141.64 127.5 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.2 -62.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.8 t -147.04 163.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.82 -56.04 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.32 165.37 27.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mt -109.78 111.65 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 69.6 p -127.78 -170.39 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' CB ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -40.03 160.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.51 41.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 HD23 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -141.23 166.66 20.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.02 -179.35 4.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -128.33 -40.65 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -52.87 4.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 12.5 p90 -102.85 -179.21 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -165.37 109.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.1 mm -90.62 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.6 mt -134.94 154.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 33.4 ttm180 -130.83 134.41 46.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.44 167.48 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -66.11 -62.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -118.37 144.78 45.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 14.9 tt0 -37.98 -48.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.2 -55.85 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.066 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.14 -57.57 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.1 -48.78 61.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.7 mtm180 -55.07 -33.58 62.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -33.64 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.5 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 33.8 m95 -67.83 -60.2 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.025 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.427 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.3 ppp? -57.01 -23.43 46.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 3.9 m-20 -85.0 -56.5 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -47.25 -41.36 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.0 mt -57.08 -69.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -37.23 -49.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -63.95 -50.57 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.8 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -53.17 -29.72 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.8 OUTLIER -89.88 21.06 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' ALA . 12.4 t -45.68 -25.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 91.18 157.6 33.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 62.84 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.14 109.92 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.7 p -67.04 155.76 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 120.78 42.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -158.81 113.38 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.48 74.87 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -104.43 129.01 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 -76.95 0.3 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -53.41 147.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.49 -63.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 15.3 ptm -162.84 156.76 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.31 127.26 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.01 169.89 23.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -85.51 112.63 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.3 mt -111.89 160.53 17.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -120.46 123.62 43.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -94.13 144.06 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 21.7 ttt-85 -79.32 161.3 26.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.23 83.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.557 ' CG2' ' NE2' ' A' ' 95' ' ' GLN . 6.6 p -145.4 98.44 3.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 39.17 -132.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -34.06 -51.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 23' ' ' TRP . 40.0 t 175.76 -168.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 17' ' ' ARG . 58.7 m95 -40.2 140.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -124.67 122.12 36.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.74 93.03 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 67.8 mt -100.15 169.34 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 72.8 t-105 -99.77 96.63 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.3 m -92.61 125.35 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 108.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.05 119.65 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD12 ' CE3' ' A' ' 115' ' ' TRP . 1.1 tt -86.4 122.85 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.8 mttm -117.29 171.53 4.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.519 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 89.29 24.91 30.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.18 157.18 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tp -141.55 133.3 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.9 mp -114.36 160.47 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' CD1' HG23 ' A' ' 50' ' ' VAL . 3.4 mp -139.43 130.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -124.52 142.63 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 2.1 mtpt -52.26 -42.29 63.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -155.33 166.35 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -46.46 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -94.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.75 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.56 75.92 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.123 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.75 -5.15 59.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.3 t90 67.98 146.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.008 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.45 -55.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.89 -175.68 41.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 141.36 46.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 HG23 ' CD1' ' A' ' 37' ' ' ILE . 49.0 t -103.3 128.75 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -90.5 128.01 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.21 51.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.98 -33.78 71.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.65 58.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' CB ' HD22 ' A' ' 71' ' ' LEU . 20.6 m -97.44 156.09 16.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.22 170.25 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.437 ' CG2' ' HE1' ' A' ' 116' ' ' MET . 0.0 OUTLIER -122.01 136.44 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.71 -31.47 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 28.0 tt0 87.49 154.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.245 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.9 mtt-85 -168.06 81.02 0.82 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.07 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.54 172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' LYS . 24.8 ttpt -62.89 100.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 40.12 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.64 69.1 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.34 -103.79 0.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.3 t80 -172.61 131.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.6 m -147.45 170.13 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 9.9 p90 -149.71 179.4 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 58' ' ' ILE . 8.7 ttpt -134.37 154.63 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 55' ' ' CYS . 5.1 tt -139.37 109.17 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -122.1 159.63 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.9 t-80 -100.33 122.3 50.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.83 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.2 mp -50.37 -33.27 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.08 52.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -112.1 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -175.21 155.74 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' CD1' HD12 ' A' ' 102' ' ' LEU . 2.1 pt -125.84 34.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -136.79 150.57 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.026 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.1 138.37 41.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.426 ' CG2' ' HE2' ' A' ' 83' ' ' LYS . 34.3 m -64.81 -43.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HE2' ' CG2' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -96.08 -165.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -136.9 -147.87 5.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.574 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -118.08 53.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . . . 37.75 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -164.3 131.27 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.81 -53.91 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -168.21 159.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.39 -104.02 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -90.24 164.19 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.6 mt -101.82 113.33 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 76.1 p -128.03 -161.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.557 ' NE2' ' CG2' ' A' ' 19' ' ' THR . 0.0 OUTLIER -40.09 158.73 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -21.95 15.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 50.94 176.37 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.01 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.72 -44.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.96 -53.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 2.1 p90 -90.56 166.62 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.6 mt -155.12 109.88 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -85.43 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.4 mt -136.49 145.6 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' N ' HG22 ' A' ' 104' ' ' ILE . 3.9 ttm180 -123.71 137.75 54.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.83 -176.17 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -48.95 8.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.29 157.85 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -39.16 -57.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.67 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -40.3 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.33 -55.01 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.48 -30.38 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -34.02 37.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.561 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 47.0 m95 -70.21 -65.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.437 ' HE1' ' CG2' ' A' ' 57' ' ' ILE . 23.9 ptm -50.32 -27.46 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -82.3 -58.69 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.91 -35.61 6.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.56 -67.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -39.6 -38.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' SER . 23.7 mt -75.12 -51.34 13.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.47 -60.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -58.61 -33.97 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 mttt -84.75 9.93 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -106.2 -21.35 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.94 131.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 64.33 6.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.1 t -123.79 -47.87 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 m 54.81 103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -140.68 130.82 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -69.03 165.1 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.14 -59.71 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -52.65 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.95 139.49 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.85 -46.02 90.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -47.5 147.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.98 -63.74 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.676 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -154.54 162.53 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.57 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.99 121.91 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.11 171.15 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.7 m95 -87.31 117.18 25.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 107.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 115' ' ' TRP . 82.3 mt -118.12 147.56 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -102.03 125.53 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp -99.1 148.85 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -38.03 144.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.01 151.55 18.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -144.43 -48.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.24 -87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -104.13 -39.35 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 23' ' ' TRP . 36.5 t -169.42 -158.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 16.2 m95 -77.8 162.3 27.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m -123.85 132.74 53.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.1 ttmt -100.13 83.59 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 47.3 mt -86.79 172.05 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.6 t-105 -96.3 99.27 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 m -91.81 136.75 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG21 ' CE1' ' A' ' 38' ' ' TYR . 16.6 t -121.11 119.91 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -85.89 125.64 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 4.7 mttt -118.62 174.75 2.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.96 84.28 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 88.94 27.53 23.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -167.86 155.06 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tp -138.25 139.15 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 2.5 mp -120.09 156.46 30.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.09 125.72 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CE1' HG21 ' A' ' 29' ' ' VAL . 68.0 m-85 -120.78 150.6 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 13.4 mtpt -54.99 -39.99 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -161.01 173.01 15.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.65 -27.72 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -72.03 -92.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -47.24 -55.97 7.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.6 90.82 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.1 mt-30 -109.13 -3.94 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.8 t90 61.25 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.16 -56.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.6 173.35 46.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -123.75 148.22 46.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -110.75 129.78 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 mt -90.8 132.3 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.78 45.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -47.04 -40.67 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.0 60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 6.9 m -96.71 157.92 15.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.86 168.22 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.25 133.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.34 -28.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 12.4 tt0 82.33 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -162.42 71.95 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m 53.69 -177.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -76.29 90.41 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.38 104.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 177.53 65.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.63 -107.55 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.9 t80 -173.31 121.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.77 169.2 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.4 p90 -150.53 178.89 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 130.23 23.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 57' ' ' ILE . 4.5 tt -115.93 109.35 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -116.02 166.41 12.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.9 t-80 -111.35 124.02 33.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.6 tt0 81.83 33.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -93.17 -172.74 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m -103.51 119.71 39.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 102' ' ' LEU . 3.7 pt -85.67 49.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.528 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.1 m95 -147.56 146.83 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.39 135.34 40.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.52 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -164.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.39 -150.68 6.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -20.77 16.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 87' ' ' GLY . 9.0 mmtp -131.86 57.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 30.24 67.52 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.563 1.164 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -130.94 129.66 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.99 -51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -169.23 158.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -84.3 -83.18 0.98 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.07 162.97 22.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 mt -105.97 111.88 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 59.4 p -125.49 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -38.91 157.18 0.12 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.52 38.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 168.4 11.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.96 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.528 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.6 t -134.29 -44.58 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -54.4 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.8 p90 -101.94 -176.13 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 79' ' ' ILE . 1.5 mt -165.4 110.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -90.0 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -132.65 161.94 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' LYS . 62.4 ttt-85 -134.0 129.26 35.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.15 176.78 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.32 -59.82 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -131.47 164.59 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 4.3 tt0 -41.07 -52.55 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -47.89 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -69.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.91 -48.02 14.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.2 mmt180 -54.97 -38.29 67.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.357 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -40.0 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.281 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.676 ' CZ2' ' SD ' ' A' ' 10' ' ' MET . 44.9 m95 -62.45 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 1.6 ppp? -54.46 -20.52 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 116' ' ' MET . 16.5 m-20 -85.03 -60.11 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.43 -46.01 37.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.6 mt -50.88 -69.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -37.25 -52.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 125' ' ' SER . 33.5 mt -61.04 -54.03 49.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -41.32 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.9 pp -53.22 -33.62 53.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -88.78 17.79 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 t 77.76 -54.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.68 170.86 46.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.58 21.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 t -144.35 132.43 21.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 t -48.13 -55.62 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -117.66 142.57 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -169.05 85.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.87 87.25 0.32 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.54 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.71 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.56 -93.68 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -53.72 168.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.791 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 8' ' ' ILE . 43.0 t -115.37 -59.84 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.566 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 7.1 ptm -160.24 148.13 16.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.86 130.82 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -156.21 171.61 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -89.11 106.0 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 mt -107.86 160.65 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' ARG . 17.7 mttt -110.65 122.67 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.5 mp -98.34 141.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 13.5 ttp180 -41.73 130.04 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -92.52 173.41 35.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 19.3 p -154.23 -44.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD21 ' CG ' ' A' ' 95' ' ' GLN . 4.0 mm? -57.76 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -121.32 -46.27 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.82 -176.11 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 13.2 m95 -65.74 -178.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -138.26 129.87 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -94.19 93.95 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 32.6 mt -101.36 172.76 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.544 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 74.0 t-105 -99.75 96.82 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.5 m -88.68 128.57 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.5 t -111.91 121.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.1 OUTLIER -87.49 117.98 26.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 17.4 mttt -112.49 171.3 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -75.09 86.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.52 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 89.85 25.57 26.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.21 161.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tp -144.92 136.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 2.0 mp -117.46 153.78 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.02 122.33 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 55.0 m-85 -120.75 148.55 43.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 8.1 mttt -52.47 -40.87 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -157.87 173.86 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.544 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.34 -29.13 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -67.27 -102.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.53 93.77 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -106.88 -4.14 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.8 t90 64.15 155.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.4 t -133.25 -56.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.22 176.11 43.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -133.38 142.63 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.88 133.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mt -97.58 129.16 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 mt -101.54 51.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 5.4 m120 -73.29 59.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' ASN . . . 84.3 50.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 73.8 m -94.55 144.97 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -116.79 164.29 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -119.43 139.15 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -113.61 -32.55 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 21.3 tt0 85.07 151.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -154.29 68.35 5.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.02 17.51 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.541 1.811 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m 49.29 -177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.41 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 87.27 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.67 72.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.11 -109.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 9.7 t80 -159.03 132.29 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.4 m -146.85 166.55 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.3 p90 -148.89 -179.2 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -145.75 141.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 57' ' ' ILE . 2.8 tt -121.82 119.08 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 50.7 p90 -127.72 173.37 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 11.7 t-80 -109.44 131.08 22.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 mp -60.67 -19.05 57.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 67.26 59.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -115.12 -93.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -163.99 137.32 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 7.2 pt -107.68 35.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.48 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.5 m95 -132.77 138.89 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.35 141.07 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.4 m -57.78 -34.15 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -128.57 -133.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.67 -147.44 4.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -75.01 -48.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.11 40.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.42 75.75 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ALA . 7.1 mt-10 -144.32 133.41 22.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.66 -56.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.1 p -168.6 166.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' N ' ' CG2' ' A' ' 90' ' ' VAL . . . -116.59 -71.32 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 166.12 16.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 94' ' ' THR . 21.3 mt -105.79 -68.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 95' ' ' GLN . 6.7 t 36.78 -150.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.469 ' CG ' HD21 ' A' ' 20' ' ' LEU . 10.2 mt-30 -65.81 144.81 98.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 18.6 Cg_endo -74.91 -15.66 20.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 55.49 -177.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 7.1 t -145.23 -50.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -81.94 -44.52 16.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 22.7 p90 -113.39 -174.87 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 2.1 mt -163.73 115.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.408 HD11 ' CB ' ' A' ' 70' ' ' LYS . 4.8 mm -95.66 134.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.3 mt -133.46 162.36 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LYS . 14.3 ttt180 -136.62 134.28 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -106.54 158.88 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -118.04 152.91 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.593 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.8 tt0 -40.93 -60.81 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' ASP . 67.3 m -43.29 -62.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' SER . 26.2 t0 -39.9 -65.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.466 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.87 -40.74 42.84 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -58.6 -43.42 89.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -29.82 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.566 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 49.3 m95 -73.36 -62.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.5 ppp? -57.65 -21.04 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.7 m-20 -85.27 -60.52 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LEU . . . -46.03 -52.25 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ALA . 8.5 mt -40.35 -64.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.7 -39.91 12.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 125' ' ' SER . 27.1 mt -68.17 -53.86 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.82 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -52.17 -35.89 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 121' ' ' LEU . 15.8 mttt -90.34 21.87 3.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 122' ' ' ALA . 3.3 t 70.13 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.29 166.98 12.47 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.3 p -123.36 159.33 29.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -130.86 105.51 7.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 45.84 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.051 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -106.74 128.99 54.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.63 -92.98 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t 60.15 88.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m 65.21 168.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.96 -57.63 18.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -47.29 143.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 30' ' ' LEU . 75.4 t -85.08 -62.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 115' ' ' TRP . 16.4 ptm -161.5 156.86 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.99 127.81 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -155.52 168.38 27.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 91.1 m95 -87.76 106.2 17.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.0 mt -106.28 138.58 42.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -91.76 135.82 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -109.05 148.01 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 7.3 ttm180 -38.3 144.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.66 167.91 54.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -156.84 -57.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.383 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 ' CG ' ' A' ' 95' ' ' GLN . 3.1 mt -83.64 -91.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -82.46 -45.94 14.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t -177.28 -163.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 25.8 m95 -58.54 160.08 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.449 ' OG1' ' NE2' ' A' ' 95' ' ' GLN . 98.9 m -125.51 133.58 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -96.42 93.7 6.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt -97.95 170.67 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 75.5 t-105 -97.75 100.05 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 62.0 m -91.68 127.92 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.41 118.09 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -86.25 120.94 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.3 mttp -114.12 174.64 2.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.0 87.22 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 85.98 26.7 33.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -167.81 147.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.52 142.1 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -122.86 156.01 35.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.94 122.23 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 84.9 m-85 -120.76 145.17 47.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE3' ' CG2' ' A' ' 94' ' ' THR . 7.4 mtpt -51.12 -45.02 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -150.82 164.13 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.496 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.19 -48.26 36.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -87.51 63.73 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.67 90.78 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.6 -2.44 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.612 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.6 t90 67.69 139.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.75 -48.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.23 164.24 32.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -119.67 145.61 46.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.1 t -112.0 130.13 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.5 mt -89.86 134.61 34.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.65 48.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -56.57 -40.06 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -171.04 58.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 28.3 m -96.09 161.75 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -131.3 167.56 19.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.482 ' HB ' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -120.29 139.66 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -117.59 -33.43 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 6.9 tt0 88.2 145.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -155.62 71.0 5.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.99 -5.9 17.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 t 43.87 73.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.65 -69.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 65' ' ' ASP . 18.0 mmtt -134.0 -93.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 m-20 34.94 71.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 42.48 -93.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.8 t80 -174.92 123.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.35 162.73 32.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.5 p90 -146.31 176.92 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.65 130.02 23.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 57' ' ' ILE . 5.3 tt -115.75 110.6 19.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.525 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 34.2 p90 -119.87 169.1 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.6 t-80 -104.5 124.53 36.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.64 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 3.5 mp -69.67 -7.86 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 3.5 mt-10 71.63 36.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -93.29 -172.08 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -102.54 114.22 28.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 3.8 pt -83.02 50.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.9 m95 -149.96 135.61 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.64 144.25 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.2 m -61.41 -33.14 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.55 -129.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -148.05 -146.47 4.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.04 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.99 49.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.31 75.18 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -140.09 131.61 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.74 -54.74 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -166.79 150.4 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.515 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -77.29 -110.46 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.55 169.65 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.2 mt -112.54 114.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.442 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 37.9 p -132.01 -166.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' CG ' HD12 ' A' ' 20' ' ' LEU . 2.5 mt-30 -39.64 159.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.36 42.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.15 166.12 29.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.02 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.547 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 36.5 t -145.15 -48.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -82.49 -42.43 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 27.7 p90 -116.25 -174.46 2.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -165.4 123.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 15.1 mm -98.76 135.42 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.9 mt -135.9 145.47 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' N ' HG22 ' A' ' 104' ' ' ILE . 22.3 ttm-85 -119.9 131.19 55.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.06 169.6 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -70.41 -62.11 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.93 166.64 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -48.87 51.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.1 m -53.8 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' SER . 1.0 OUTLIER -39.81 -65.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.01 -47.37 48.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 8.1 mmm180 -55.18 -37.48 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -37.31 58.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CD1' ' HE3' ' A' ' 10' ' ' MET . 42.2 m95 -64.76 -62.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.1 ppp? -56.37 -23.09 35.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 116' ' ' MET . 32.1 m-20 -82.47 -64.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.57 -43.75 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mt -52.39 -65.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 42.1 mt-10 -42.51 -37.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 124' ' ' LYS . 28.8 mt -74.73 -52.68 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -54.79 -36.92 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -88.81 18.1 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER 64.3 132.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.89 -140.65 0.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 60.37 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 49.7 m 54.04 96.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.8 p -148.07 151.09 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -128.25 78.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m 54.27 91.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.76 -93.99 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t 60.66 108.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -129.13 162.57 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.61 -69.07 1.29 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -48.34 156.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.02 -63.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.674 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.61 155.86 42.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.48 119.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' HB2' ' SD ' ' A' ' 10' ' ' MET . 1.1 t0 -156.48 168.42 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.525 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 88.0 m95 -85.56 109.78 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 115' ' ' TRP . 38.2 mt -108.39 144.07 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -98.19 135.71 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -111.46 148.39 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' N ' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.22 119.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.69 76.93 1.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 t -73.32 -9.37 58.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.84 -66.33 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.72 -46.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.3 t -138.01 163.58 31.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.039 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.553 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 24.7 m95 -61.78 135.7 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.5 m -98.8 123.34 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.4 tttt -85.92 92.7 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 85.2 mt -93.8 167.12 11.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 62.5 t-105 -101.24 97.24 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.8 m -90.93 132.29 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.268 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.58 118.35 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' MET . 0.7 OUTLIER -85.46 127.2 34.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 8.0 mttt -119.1 175.33 2.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.529 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 88.95 26.73 25.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.53 151.6 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.02 147.59 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -127.47 151.42 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 125.18 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.7 m-85 -123.29 146.55 47.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.0 mtpt -53.44 -38.83 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.7 t -159.92 175.67 12.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.432 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.95 -29.37 17.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -63.68 -98.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.28 -63.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 70.71 1.28 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.37 -7.28 59.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.7 t90 67.9 156.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 66.1 t -131.23 -51.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.69 175.35 47.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -132.07 145.91 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' A' ' 102' ' ' LEU . 43.9 t -111.66 130.27 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -90.26 130.45 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 53.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.58 -35.63 80.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.13 58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.521 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 27.6 m -97.4 149.26 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 27.3 mp0 -117.64 174.18 6.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -133.02 138.59 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -118.34 -32.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.2 tt0 89.48 151.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.4 mtm-85 -163.58 88.41 1.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.04 -11.3 21.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PRO . 2.1 t 37.61 86.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 49.8 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.96 77.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -143.33 78.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.35 -119.67 18.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 113' ' ' ARG . 5.1 t80 -164.66 132.2 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' ARG . 73.0 m -144.86 160.63 40.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -138.17 173.47 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -131.79 137.86 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 57' ' ' ILE . 5.1 tt -126.71 109.88 12.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -114.22 168.1 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.1 t-80 -119.68 124.82 27.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.39 -26.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 64.94 56.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -109.33 -91.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t -173.17 120.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 100' ' ' SER . 4.0 pt -91.82 40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.9 m95 -138.26 139.16 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.12 145.13 40.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.73 -29.33 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.81 -132.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.31 -146.27 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 48.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.96 81.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.56 136.96 28.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.56 -58.07 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -165.2 152.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.06 -108.31 0.41 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 164.84 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.79 118.01 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.451 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 34.6 p -132.37 -165.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.06 161.77 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.32 40.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.798 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.68 165.22 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.5 Cg_endo -74.94 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.1 t -136.8 -55.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 79' ' ' ILE . 66.3 m -82.28 -53.94 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 4.7 p90 -96.46 177.25 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 1.7 mt -161.65 119.96 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mm -97.85 134.7 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 3.6 mt -133.37 153.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.505 ' CZ ' ' CE2' ' A' ' 23' ' ' TRP . 28.1 ttm180 -129.5 132.92 47.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.87 157.34 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -66.21 -56.48 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.66 142.41 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 16.0 tt0 -38.81 -50.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.39 -62.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -45.36 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.59 -51.02 10.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 67' ' ' PHE . 5.4 mtm180 -56.9 -33.31 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -38.14 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.674 ' CZ2' ' SD ' ' A' ' 10' ' ' MET . 48.7 m95 -63.92 -57.73 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.471 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.6 ppp? -61.35 -23.01 65.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 9.4 m-20 -83.29 -62.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.51 11.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.09 -68.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.458 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 45.3 mt-10 -39.08 -38.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 124' ' ' LYS . 20.2 mt -73.19 -56.53 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.34 -63.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -53.82 -36.23 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.0 mmtt -86.38 12.37 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.1 t -113.1 -29.78 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 57.55 163.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.76 42.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.44 133.19 36.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.8 m -128.3 137.07 51.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -43.81 150.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.15 98.66 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.65 -89.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.82 84.29 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.86 125.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.68 -56.4 23.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -46.86 145.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 30' ' ' LEU . 73.3 t -83.14 -63.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.57 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 15.3 ptm -161.95 157.33 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.48 127.6 22.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.04 169.15 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.547 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.0 m95 -85.38 106.18 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 mt -108.04 137.2 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 tttt -95.37 131.6 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -99.32 149.33 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 3.6 ttp180 -37.8 152.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.09 81.57 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -46.87 -45.29 20.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 95' ' ' GLN . 1.7 mt -96.7 -82.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -41.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -110.62 158.62 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.509 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 15.7 m95 -75.39 168.18 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 m -123.07 121.64 36.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 3.6 tttt -90.57 86.27 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 40.4 mt -94.05 171.68 8.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 72.5 t-105 -97.93 98.51 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -93.27 128.58 39.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG23 ' CE1' ' A' ' 38' ' ' TYR . 66.1 t -109.8 119.89 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -86.22 121.61 29.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 5.6 mttt -115.78 172.79 3.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.526 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . 87.69 25.73 31.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 33' ' ' GLY . 1.0 OUTLIER -167.26 152.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -135.19 138.48 43.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -119.8 159.11 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.47 132.03 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.43 ' CE1' HG23 ' A' ' 29' ' ' VAL . 70.9 m-85 -129.29 139.76 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 5.8 mttt -45.59 -41.62 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.5 t -156.72 175.95 13.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.04 -35.52 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -53.84 -68.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.99 78.86 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.22 -6.29 48.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 25.4 t90 68.23 149.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.7 -54.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.46 47.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.71 137.91 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.51 127.43 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -90.68 135.06 33.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.92 52.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -55.95 -39.3 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.53 63.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 26.5 m -100.73 152.69 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -119.19 174.02 6.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.04 132.03 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -113.02 -32.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER 89.5 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -156.8 70.36 4.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.458 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.3 Cg_endo -75.0 -11.99 21.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.3 m 52.84 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.07 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 109.7 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.54 76.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.58 -105.92 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 2.8 t80 -168.12 129.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.4 m -142.42 162.22 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.5 p90 -138.43 173.38 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 135.72 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 55' ' ' CYS . 5.3 tt -121.75 112.8 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -118.03 168.02 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 5.5 t-80 -116.31 123.64 30.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.2 Cg_endo -74.98 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 8.8 mp -46.32 -26.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' PRO . 26.1 mt-10 65.78 59.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -115.84 -81.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.85 125.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' CG2' ' HB2' ' A' ' 73' ' ' HIS . 4.8 pt -96.4 40.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.5 m95 -138.35 151.18 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.63 139.42 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 29.3 m -66.87 -37.6 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 82' ' ' VAL . 1.9 mtmt -103.38 -166.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.09 -147.0 6.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.536 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.02 -47.8 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -32.93 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.43 58.93 0.26 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.6 mp0 -129.61 140.23 51.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 0.722 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.49 -53.71 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.2 p -168.19 150.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.478 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.89 -103.48 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.29 168.28 12.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 94' ' ' THR . 11.7 mt -78.71 -54.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 93' ' ' ILE . 2.0 m 51.51 174.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.472 ' CG ' HD11 ' A' ' 20' ' ' LEU . 2.4 mp0 -53.28 163.55 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 159.4 41.49 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.18 169.04 10.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.1 Cg_endo -75.05 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 14.7 t -135.29 -46.6 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -83.88 -54.46 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 19.2 p90 -101.29 -177.3 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 79' ' ' ILE . 2.3 mt -165.96 110.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.19 136.03 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -135.32 145.46 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.439 ' N ' HG21 ' A' ' 104' ' ' ILE . 32.9 ttt85 -121.46 128.04 51.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.97 171.27 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -68.43 -60.76 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.6 153.19 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.8 tt0 -38.67 -54.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -46.99 -64.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.24 -68.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.68 -50.59 10.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -53.92 -34.41 59.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -38.69 54.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.262 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.57 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 44.2 m95 -63.29 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 21.9 ptm -47.76 -32.31 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.28 -56.55 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.01 -43.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -56.19 -68.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -35.58 -50.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 125' ' ' SER . 30.3 mt -62.69 -51.88 65.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.64 -68.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -52.46 -34.6 49.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -90.19 21.96 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER 72.48 -62.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.83 170.55 44.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.47 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 91.8 p -150.1 103.15 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.8 t 63.92 122.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.42 147.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 30' ' ' LEU . 79.3 t -89.43 -64.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.513 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.0 ptm -159.6 156.43 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.773 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.51 129.34 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -155.96 164.92 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -85.51 106.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD21 ' NE1' ' A' ' 115' ' ' TRP . 31.3 mt -105.42 150.24 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.4 mttt -96.85 136.89 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 39' ' ' LYS . 72.8 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.773 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.4 t-105 -98.4 98.39 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 14' ' ' LEU . 25.5 m -93.92 132.36 38.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.87 119.8 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -85.86 116.63 24.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.925 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.8 mttt -110.78 173.41 2.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 89.66 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.888 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.21 27.18 34.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -167.74 158.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.723 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tp -139.18 136.05 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -115.85 154.76 29.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.35 130.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' ' 36' ' ' LEU . 96.4 m-85 -130.08 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.6 mttt -51.17 -42.61 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 2.7 t -156.1 175.16 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.95 -31.71 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -58.36 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.33 -66.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.74 68.56 1.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -78.58 -9.46 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 29.5 t90 67.16 145.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.77 -55.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 173.54 46.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -125.45 143.51 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 0.726 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 102' ' ' LEU . 49.1 t -113.23 135.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 81' ' ' ALA . 17.6 mt -98.63 137.09 37.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 47.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -51.82 -36.97 49.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.04 58.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 123' ' ' LEU . 17.7 m -97.78 159.13 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -126.97 166.8 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.549 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.89 138.89 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.84 -31.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' CG ' ' HE3' ' A' ' 116' ' ' MET . 11.4 tt0 84.11 155.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -164.16 67.21 1.45 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.2 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.477 0.18 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.73 173.84 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.3 p90 -156.65 179.48 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -141.79 127.77 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -111.89 111.87 23.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 37.5 p90 -122.92 173.84 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -106.7 127.56 27.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.97 6.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -91.54 25.23 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.5 mt-10 36.49 90.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.26 -173.91 3.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 p -98.03 108.43 21.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 102' ' ' LEU . 3.1 pt -84.27 49.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.3 m95 -147.85 137.78 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -74.99 143.65 43.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.646 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.6 m -58.26 -33.35 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -127.19 -134.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.574 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.74 -145.25 4.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.94 -50.34 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -97.08 40.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.8 64.52 2.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -130.89 131.92 44.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -42.88 -60.82 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.6 t -149.39 156.76 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.49 -66.16 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.99 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 23.0 t -141.47 -44.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -55.06 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 9.8 p90 -97.05 178.93 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 79' ' ' ILE . 1.7 mt -163.04 110.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 70' ' ' LYS . 4.5 mm -87.75 132.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.3 mt -132.66 160.86 42.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' LYS . 21.1 ttt-85 -135.95 139.37 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.13 177.37 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -66.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 m -117.64 154.74 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -43.15 -40.72 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 m -58.49 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.59 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.69 -46.09 59.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -55.88 -35.17 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -35.26 55.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.551 ' NE1' HD21 ' A' ' 14' ' ' LEU . 47.5 m95 -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.9 ppp? -55.0 -22.79 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 116' ' ' MET . 30.3 m-20 -82.72 -60.62 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.1 34.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -45.58 -60.27 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.517 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.8 mt-10 -47.45 -39.68 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 124' ' ' LYS . 27.3 mt -71.2 -53.49 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.01 -63.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -53.79 -36.08 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 121' ' ' LEU . 11.0 mmtt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.53 146.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.7 HG11 HD13 ' A' ' 30' ' ' LEU . 59.9 t -86.72 -64.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.8 ptm -160.27 157.08 27.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.1 128.98 23.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -155.86 170.37 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -87.44 109.77 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 HG21 ' A' ' 104' ' ' ILE . 19.3 mt -112.67 135.83 52.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.58 132.06 34.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -99.56 97.29 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 12.8 m -91.2 134.79 34.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.346 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.81 119.64 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD13 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -86.1 116.18 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.896 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.3 mttt -112.28 172.41 3.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 89.68 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.23 26.77 35.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.52 157.05 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.2 mp -116.88 155.82 28.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.81 126.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -124.93 139.18 54.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.4 mttt -46.6 -49.27 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -148.3 172.29 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.486 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -89.63 -28.91 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -46.91 -67.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.96 88.59 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.53 -6.18 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 67.9 152.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.43 -56.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.05 169.16 41.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 m -120.79 137.04 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 102' ' ' LEU . 45.9 t -104.6 128.04 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.82 130.84 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.01 49.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -34.86 64.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -178.53 62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.74 ' O ' HD13 ' A' ' 123' ' ' LEU . 33.5 m -99.67 163.83 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.68 174.96 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.771 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.72 142.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pp -123.51 -35.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.6 tt0 91.82 153.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -166.54 74.16 1.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.477 0.18 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.4 m -140.83 163.11 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 108.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.1 p90 -143.52 176.23 9.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -135.37 130.14 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 57' ' ' ILE . 4.8 tt -120.19 110.48 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -117.32 168.61 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.6 t60 -112.27 121.5 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 73' ' ' HIS . 18.2 Cg_endo -75.07 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.4 mp -48.03 -26.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 65.21 60.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -117.2 -82.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -170.15 141.25 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 HD12 ' A' ' 102' ' ' LEU . 1.6 pt -117.23 25.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -132.66 143.17 49.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.05 159.17 27.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.717 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.6 m -74.27 -33.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.717 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -126.59 -133.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -146.46 -144.93 4.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.05 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.09 35.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.24 60.36 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.4 133.2 50.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.58 -60.12 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.91 156.21 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.18 -68.65 1.0 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.96 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 m -139.75 -46.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 p -92.59 -55.35 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 21.9 p90 -95.54 177.81 5.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -159.18 110.33 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 18.9 mm -84.15 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.3 mt -135.68 163.54 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.466 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttm180 -135.25 139.16 44.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.41 168.33 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.28 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.12 168.38 10.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.38 -54.1 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' ASP . 19.2 m -51.21 -59.64 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . 4.1 m-20 -40.14 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.28 -53.1 8.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -49.88 -35.4 23.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -38.06 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.551 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 37.8 m95 -64.3 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.52 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -51.08 -27.16 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.45 -62.42 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.29 -35.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.444 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -61.87 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.735 ' HA ' HD21 ' A' ' 123' ' ' LEU . 52.9 mt-10 -38.65 -37.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 124' ' ' LYS . 18.9 mt -75.97 -53.14 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -59.34 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -56.29 -33.97 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.8 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -52.76 149.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.601 ' CG1' HD13 ' A' ' 30' ' ' LEU . 72.4 t -91.42 -62.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.536 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.3 ptm -160.4 157.19 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.84 127.66 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -155.72 169.08 25.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -87.85 106.3 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 107.96 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD13 HG21 ' A' ' 104' ' ' ILE . 43.1 mt -106.12 141.88 36.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.0 mttt -93.13 130.97 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.4 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -95.98 97.93 9.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' HD12 ' A' ' 14' ' ' LEU . 48.2 m -90.66 135.42 33.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -119.29 118.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.04 120.08 27.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.905 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.4 mttm -113.11 173.95 2.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -74.99 87.04 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.897 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.39 25.73 32.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.905 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.1 m -167.45 153.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -134.66 142.05 46.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -122.01 155.98 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.69 126.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 87.4 m-85 -124.39 144.68 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 26' ' ' LEU . 17.7 mttt -50.67 -52.95 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.39 -40.9 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' GLN . 6.5 mmtt -39.63 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 2.9 p30 -88.7 -54.56 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 77.6 88.22 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.38 -4.42 58.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.4 t90 68.15 153.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.963 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.75 -53.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.32 176.32 45.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.578 1.174 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -133.33 142.06 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 47.5 t -111.1 129.55 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 34' ' ' VAL . 12.7 mt -96.57 134.93 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -108.09 54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.687 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 34.8 m120 -70.95 59.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 83.32 53.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 74.1 m -97.19 156.69 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -125.87 165.45 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.64 139.32 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.3 pt -114.56 -32.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.0 tt0 84.94 149.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 3.6 mtm180 -158.05 69.2 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.4 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.521 0.201 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -149.88 167.92 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.266 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.43 176.54 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -140.38 129.12 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -113.52 115.73 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' HE1' HG23 ' A' ' 58' ' ' ILE . 55.1 p90 -120.15 170.28 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 75' ' ' LEU . 8.9 t-80 -107.49 126.71 29.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -40.36 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 73' ' ' HIS . 5.8 mp -59.54 -18.95 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.99 53.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.61 -84.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -174.02 145.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 102' ' ' LEU . 3.6 pt -116.04 49.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.674 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.0 m95 -146.52 138.72 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -76.29 146.6 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.536 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.8 m -64.79 -32.85 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -125.04 -129.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -148.65 -145.54 4.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.96 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -93.38 46.54 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 83' ' ' LYS . . . 37.87 70.7 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.053 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 83' ' ' LYS . 12.2 mt-10 -136.05 135.49 39.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.84 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -164.08 154.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -90.28 -97.07 1.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.532 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.531 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.0 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 15.4 m -137.5 -45.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 p -79.84 -53.0 7.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 19.9 p90 -105.76 -174.59 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 79' ' ' ILE . 1.9 mt -165.44 120.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.0 mm -94.22 135.8 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.1 mt -136.35 163.28 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 104' ' ' ILE . 35.7 ttt180 -138.91 146.02 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -118.02 173.91 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.05 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.59 151.38 40.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -39.08 -40.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -67.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -42.26 -56.06 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.402 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -55.7 -47.19 79.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -56.1 -34.99 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -34.79 49.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 30.6 m95 -64.92 -59.25 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.01 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.515 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 ppp? -60.21 -24.92 65.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 5.2 m-20 -81.11 -53.45 6.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.8 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 12.4 mt -52.41 -68.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -37.3 -54.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 32.4 mt -60.27 -52.89 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -40.59 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -52.88 -30.36 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 mmtt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -49.86 147.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' CG1' HD13 ' A' ' 30' ' ' LEU . 69.9 t -87.84 -63.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 12.6 ptm -160.94 157.23 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.623 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.85 129.01 22.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -156.07 168.48 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -85.7 106.29 16.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 115' ' ' TRP . 81.8 mt -105.12 146.49 29.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.626 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.7 mttt -96.39 136.83 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.3 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 73.4 t-105 -101.51 96.03 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 m -89.94 137.88 31.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.39 119.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -85.99 118.81 25.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.2 mttt -113.71 173.76 2.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 86.67 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.885 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.54 27.07 30.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.924 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.44 150.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.86 138.51 45.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.03 157.13 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -136.95 135.9 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.44 140.9 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' HA ' HD22 ' A' ' 26' ' ' LEU . 4.5 mttt -49.04 -38.11 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -164.51 173.35 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -86.14 -45.54 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -94.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.09 -70.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.79 0.88 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.48 -4.4 55.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 24.5 t90 68.03 149.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.34 -53.49 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.83 -177.81 46.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 138.48 45.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 102' ' ' LEU . 56.3 t -106.28 129.09 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.9 mt -90.93 134.06 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -117.38 36.28 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.62 -44.87 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.34 59.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.67 160.4 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.16 170.47 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -124.79 135.58 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -112.04 -31.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.9 tt0 87.82 154.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -164.47 85.84 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 4.1 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 39.3 m -131.23 161.57 31.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.7 p90 -138.7 -179.94 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.3 132.99 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.7 tt -119.65 112.7 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 42.1 p90 -122.94 168.06 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -101.28 126.38 34.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.546 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.59 -11.87 61.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.19 64.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -114.92 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -177.09 135.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.948 HD12 HD12 ' A' ' 102' ' ' LEU . 6.0 pt -108.23 36.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.2 m95 -137.36 154.76 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 1.013 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -108.51 141.29 40.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE3' ' A' ' 83' ' ' LYS . 32.1 m -66.23 -43.12 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' A' ' 82' ' ' VAL . 2.2 mtmt -97.71 -166.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.533 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -130.23 -146.44 5.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.0 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' CE ' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -83.88 -33.5 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.56 56.0 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -127.39 144.77 51.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.54 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -167.08 154.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -85.6 -92.45 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.02 -163.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.46 -47.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 p -82.53 -48.86 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 16.5 p90 -107.87 -174.88 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.948 HD12 HD12 ' A' ' 79' ' ' ILE . 2.0 mt -165.58 113.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 6.2 mm -93.31 134.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.5 mt -133.25 163.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 64.5 ttt180 -139.79 137.11 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.43 165.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.3 m -67.91 -72.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -105.2 145.27 30.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -41.96 -50.81 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.61 -44.63 37.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.06 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -49.1 -55.19 12.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 5.0 mtm180 -48.06 -32.61 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -35.73 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.604 ' CD2' HD11 ' A' ' 14' ' ' LEU . 49.3 m95 -67.08 -57.05 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.486 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 ppp? -61.23 -20.77 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 -58.24 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.77 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -42.45 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 53.4 mt-10 -40.33 -44.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.5 mt -67.3 -51.44 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.43 -67.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -53.1 -33.83 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -48.24 146.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 30' ' ' LEU . 76.5 t -87.79 -63.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 115' ' ' TRP . 16.6 ptm -160.06 157.33 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.87 126.77 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 10.9 t0 -155.74 170.51 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.423 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 82.3 m95 -85.33 110.8 19.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 115' ' ' TRP . 27.1 mt -116.93 145.25 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.735 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.5 mttt -95.34 136.72 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 39' ' ' LYS . 39.1 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.2 t-105 -91.24 96.68 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 14' ' ' LEU . 38.5 m -91.27 133.6 35.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 t -115.98 119.47 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.14 119.29 26.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.1 mttt -112.92 173.72 2.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.57 26.41 27.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.6 150.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tp -132.74 137.55 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HE1' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -118.15 157.66 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.95 128.46 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 77.8 m-85 -124.76 149.56 47.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.2 mtpt -51.57 -43.19 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.6 t -160.66 173.17 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.599 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.84 -45.87 9.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -79.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.37 -63.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.541 ' H ' HG23 ' A' ' 40' ' ' THR . . . 72.74 90.05 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 29.1 mt-30 -110.03 -3.06 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.3 t90 61.13 151.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -126.91 -55.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 -178.4 42.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.437 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.6 m -133.92 144.62 48.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 102' ' ' LEU . 56.1 t -108.15 128.66 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.7 mt -89.83 132.6 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.6 41.62 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.459 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 26.0 m120 -46.9 -38.35 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.96 58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 123' ' ' LEU . 19.2 m -97.01 157.94 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.06 162.54 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.8 137.02 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.602 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -111.96 -30.69 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 14.2 tt0 83.4 146.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -152.46 68.62 7.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.6 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.504 0.193 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.9 m -144.53 164.51 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.9 p90 -150.49 176.11 11.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.602 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -141.37 145.69 35.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -126.53 112.87 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 37.6 p90 -122.4 167.06 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.7 t60 -105.87 125.65 32.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.5 mp -55.81 -19.68 12.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 65.87 59.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -119.32 -76.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 147.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.909 HD12 HD12 ' A' ' 102' ' ' LEU . 3.5 pt -118.75 46.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.617 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.0 m95 -143.31 154.11 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.875 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -106.54 138.37 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.57 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.5 m -68.28 -41.31 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.5 mtmt -96.67 -166.61 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.43 -150.26 6.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.97 -24.54 12.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.3 mmtt -127.21 53.67 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.24 68.07 0.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -131.12 130.13 42.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.8 -50.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -170.24 160.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.77 -83.24 1.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.552 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.04 -164.91 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.4 t -144.02 -46.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -84.12 -42.94 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 14.3 p90 -114.52 -178.47 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.909 HD12 HD12 ' A' ' 79' ' ' ILE . 1.8 mt -165.59 111.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.9 mm -87.8 137.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.1 mt -135.55 153.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -134.14 133.04 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.15 -176.23 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.92 -55.74 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.03 157.09 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 1.2 tm-20 -42.79 -45.22 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -64.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.09 -65.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -45.28 -53.05 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 mmm180 -48.98 -30.68 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -34.2 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 10' ' ' MET . 42.4 m95 -70.19 -59.93 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.9 ppp? -56.61 -23.82 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 116' ' ' MET . 14.5 m-20 -83.66 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.94 -38.4 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.73 -60.8 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.52 ' HA ' HD21 ' A' ' 123' ' ' LEU . 34.8 mt-10 -47.96 -39.34 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.7 mt -71.39 -51.96 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.68 -65.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -52.88 -34.16 53.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.6 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -55.16 152.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 30' ' ' LEU . 73.4 t -93.3 -61.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.573 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 17.4 ptm -161.73 158.85 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -143.56 124.47 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -155.7 173.4 16.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -84.93 112.08 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE3' ' A' ' 115' ' ' TRP . 79.8 mt -111.65 134.67 53.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 16' ' ' ILE . 21.9 mttt -85.6 117.44 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' HA ' ' A' ' 39' ' ' LYS . 12.9 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.3 t-105 -92.39 95.57 9.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB2' HD12 ' A' ' 14' ' ' LEU . 33.4 m -89.86 132.09 35.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -114.62 120.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 1.2 tt -85.8 124.84 32.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.921 ' HB3' HG23 ' A' ' 34' ' ' VAL . 9.5 mttt -121.62 172.69 4.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.95 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.38 29.64 24.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -168.49 158.89 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -144.88 134.27 23.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD13 ' HE3' ' A' ' 31' ' ' LYS . 3.9 mp -115.82 153.46 31.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.09 122.31 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 64.1 m-85 -118.14 146.42 44.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HA ' HD22 ' A' ' 26' ' ' LEU . 5.8 mtpt -49.89 -45.66 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -155.61 168.81 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -85.87 -32.31 21.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -61.07 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -49.44 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.45 87.27 0.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 31.5 mt-30 -102.27 -1.66 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.589 ' CH2' ' HA3' ' A' ' 84' ' ' GLY . 27.4 t90 59.91 159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.81 -55.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.32 -179.36 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -135.37 145.24 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 79' ' ' ILE . 42.6 t -111.9 131.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -94.46 132.24 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -111.59 50.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -52.8 -40.29 63.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.56 59.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.719 ' CB ' HD21 ' A' ' 71' ' ' LEU . 13.5 m -98.17 152.88 18.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -123.14 166.46 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -118.93 133.82 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -110.9 -29.26 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.8 tt0 87.44 149.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -162.87 82.31 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 2.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.461 0.172 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ARG . 86.2 m -148.96 161.63 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.8 p90 -135.3 169.33 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -131.87 123.15 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 57' ' ' ILE . 3.2 tt -114.56 135.1 54.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 47.3 p90 -139.37 173.85 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.23 122.82 40.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.615 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.59 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.36 -16.03 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 58.42 73.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -124.96 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.6 t -179.23 126.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.873 ' CD1' HD12 ' A' ' 102' ' ' LEU . 3.6 pt -99.76 35.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.2 m95 -136.26 155.03 50.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -92.32 152.9 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.729 HG23 ' HE3' ' A' ' 83' ' ' LYS . 12.3 m -68.68 -32.49 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -127.6 -131.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.56 -147.9 4.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.88 43.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.77 71.56 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.28 138.82 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.296 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.63 -53.23 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.422 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 p -167.94 159.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.68 -83.87 1.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.97 179.9 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.9 t -127.61 -40.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 p -87.71 -54.02 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.9 p90 -102.86 179.78 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.873 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -164.58 120.18 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.38 136.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.3 mt -135.68 159.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -139.46 148.58 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.29 168.16 10.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -61.63 -53.23 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.97 172.45 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.35 -57.99 9.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -54.98 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.16 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -52.43 -30.53 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -34.69 29.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.573 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 38.3 m95 -67.56 -55.71 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.433 ' O ' HD13 ' A' ' 57' ' ' ILE . 24.2 ptm -60.68 -31.23 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.33 -53.74 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.49 -44.16 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.2 mt -55.72 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -36.62 -50.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.78 -51.5 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.41 -66.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.3 pp -54.51 -33.11 59.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -50.04 146.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' HB ' HD22 ' A' ' 30' ' ' LEU . 75.5 t -84.67 -63.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.9 ptm -161.29 156.95 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.23 122.49 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -155.66 156.62 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -73.95 119.83 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 11.9 mt -126.59 135.19 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.9 mptt -90.47 117.33 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.564 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 39' ' ' LYS . 10.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.714 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 44.8 t-105 -99.19 97.13 8.26 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 14' ' ' LEU . 19.9 m -86.55 140.84 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.253 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' O ' HD12 ' A' ' 35' ' ' LEU . 29.2 t -122.88 120.29 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.42 123.57 31.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.2 mttt -118.62 172.72 3.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -74.98 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.94 27.16 19.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.83 158.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 29' ' ' VAL . 1.9 tp -144.16 135.03 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.6 mp -115.88 155.85 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.29 125.52 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 81.1 m-85 -124.16 139.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.1 mttt -44.26 -45.95 8.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 3.5 t -151.13 177.65 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.24 -35.74 14.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.28 -88.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -64.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.77 61.98 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.1 -7.57 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 28.1 t90 67.37 161.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.37 -54.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.44 173.87 46.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -128.46 141.79 51.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 102' ' ' LEU . 43.0 t -107.45 130.69 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.9 mt -94.25 131.57 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.47 41.8 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.86 -38.53 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.58 58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.648 ' CB ' HD21 ' A' ' 71' ' ' LEU . 27.9 m -96.38 160.02 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -127.5 169.32 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.11 134.6 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.65 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -113.05 -31.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.602 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 9.0 tt0 84.93 150.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -155.31 77.2 4.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.6 t80 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.518 0.199 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.3 m -131.33 164.06 26.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.3 p90 -148.09 179.16 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -143.35 142.68 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 57' ' ' ILE . 5.0 tt -125.0 114.73 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 41.5 p90 -123.8 168.52 12.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.8 t60 -103.71 126.24 32.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.55 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.03 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.1 mp -57.9 -21.56 44.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.0 64.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.44 -79.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.8 HD12 HD12 ' A' ' 102' ' ' LEU . 5.8 pt -108.84 41.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.1 m95 -135.87 154.5 51.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -93.68 138.92 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.77 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.0 m -57.36 -28.7 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.77 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -129.4 -130.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -145.88 -146.3 4.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.03 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 37.08 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.13 76.06 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ALA . 13.3 mt-10 -140.59 135.33 31.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.89 -53.55 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.9 p -169.92 164.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -103.24 -93.65 2.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.01 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 69.1 m -142.49 -45.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 m -93.6 -52.94 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 1.4 p90 -94.87 165.06 12.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -156.28 116.91 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mm -90.22 137.95 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 8.0 mt -136.37 143.4 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -119.63 134.19 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -107.77 178.13 4.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -72.33 -68.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -118.66 171.81 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -52.92 -39.22 62.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -66.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.99 -64.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.23 -41.14 38.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.8 mmt180 -62.9 -35.97 81.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -35.13 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.673 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 37.1 m95 -63.92 -58.0 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.474 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.8 ppp? -62.13 -21.64 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 116' ' ' MET . 0.5 OUTLIER -83.26 -58.31 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.75 -53.22 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' GLU . 8.1 mt -43.42 -69.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -35.65 -51.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.9 mt -64.74 -51.11 64.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -41.08 -66.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -54.53 -32.66 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.22 158.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 30' ' ' LEU . 5.9 t -107.21 -63.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.675 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.9 154.71 41.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.842 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -146.07 118.41 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.86 172.67 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.463 ' O ' HD23 ' A' ' 14' ' ' LEU . 83.9 m95 -87.87 128.45 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.061 HD11 ' CE2' ' A' ' 115' ' ' TRP . 47.9 mt -133.44 159.08 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 7.4 mttt -115.26 119.48 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.6 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.842 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 68.0 t-105 -94.83 95.7 8.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 107.984 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.9 m -89.16 131.2 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.53 118.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -85.53 129.1 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.6 mttm -120.09 174.99 2.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.98 83.88 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.57 27.14 20.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.2 157.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' THR . 6.0 tp -137.4 140.52 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -120.11 155.04 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.89 122.6 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 46' ' ' TRP . 50.1 m-85 -119.32 148.54 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.9 mtpt -53.54 -51.95 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.1 t -144.51 174.62 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -87.9 -46.78 9.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -90.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -53.74 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 70.17 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.46 -7.0 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 31.4 t90 66.77 152.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 54.4 t -126.84 -55.44 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.26 178.22 43.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.1 m -133.33 149.02 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 110.381 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG21 HD13 ' A' ' 102' ' ' LEU . 37.6 t -113.58 131.66 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.8 mt -94.26 129.33 40.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 56.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 4.8 m-80 -59.51 -35.13 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.74 57.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.593 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.4 m -96.08 156.3 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.51 169.1 14.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -121.5 133.24 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -111.79 -29.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 16.7 tt0 86.77 154.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.8 mtt-85 -168.43 78.14 0.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 3.1 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.56 0.219 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.0 m -143.69 167.84 21.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -142.38 -179.69 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.11 120.6 13.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -106.39 110.08 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 51.8 p90 -115.64 161.78 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.3 t60 -110.16 119.31 47.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.433 1.754 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.4 mp -47.95 -26.38 1.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.43 58.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -117.89 -79.81 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.64 142.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 102' ' ' LEU . 4.3 pt -115.74 39.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.671 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.2 m95 -137.88 125.99 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -64.28 137.98 58.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.66 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.2 m -55.57 -32.08 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.66 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -128.32 -134.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -141.99 -146.87 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.95 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -102.25 45.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.36 62.95 0.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -123.98 141.83 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.03 -55.83 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.429 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -166.4 156.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.422 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -83.62 -81.19 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.671 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.97 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.4 t -141.57 -46.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -50.65 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 26.1 p90 -105.73 -175.2 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -165.61 115.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.35 137.81 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.362 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.1 mt -134.47 161.22 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 4.7 ttt180 -135.67 141.32 44.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.29 170.28 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -73.57 -50.45 21.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.71 157.9 43.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -42.73 -60.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.46 -63.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' CYS . 18.5 m-20 -45.14 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.36 -48.04 6.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -56.5 -35.16 67.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.1 OUTLIER -71.76 -39.79 69.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 1.061 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.4 m95 -64.08 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.506 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 ptm -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -83.34 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.67 -41.29 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.87 -62.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.7 mt-10 -45.97 -41.05 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 124' ' ' LYS . 30.4 mt -70.32 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.24 -64.48 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -53.48 -32.92 52.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.6 mttt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.93 166.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.648 ' CB ' HD22 ' A' ' 30' ' ' LEU . 42.2 t -110.24 -58.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 11.6 ptm -162.86 153.33 16.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.671 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.79 129.91 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 7.9 t0 -155.47 168.74 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CH2' ' HA ' ' A' ' 40' ' ' THR . 85.5 m95 -86.92 106.29 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 115' ' ' TRP . 33.0 mt -108.98 148.57 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' HD12 ' A' ' 16' ' ' ILE . 10.5 mttt -95.82 136.42 36.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 39' ' ' LYS . 49.3 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.671 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.4 t-105 -99.41 104.81 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.2 m -96.56 131.32 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 35' ' ' LEU . 89.1 t -112.28 129.17 68.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD22 ' CB ' ' A' ' 9' ' ' VAL . 3.0 tt -94.0 124.52 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HB3' HG23 ' A' ' 34' ' ' VAL . 18.3 mttt -117.27 172.24 4.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 79.52 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.829 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 95.5 28.75 9.35 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.92 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -168.28 162.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.3 tp -145.03 139.16 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD22 ' OH ' ' A' ' 38' ' ' TYR . 4.4 mp -121.7 157.2 31.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' OH ' HD22 ' A' ' 36' ' ' LEU . 51.5 m-85 -129.04 144.58 51.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.8 mttt -49.8 -41.86 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -158.12 173.55 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.81 -46.27 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.98 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.35 84.33 0.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -91.4 -7.44 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 29.4 t90 67.37 148.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 107.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.4 t -123.02 -57.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.82 -178.69 40.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -136.28 138.61 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 102' ' ' LEU . 41.7 t -107.31 131.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 mt -94.65 132.45 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -113.09 43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.68 -38.84 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.17 60.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.04 164.6 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -132.64 169.62 16.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.93 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.59 136.02 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -116.69 -33.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.559 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 16.3 tt0 88.57 152.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' NH2' HD11 ' A' ' 103' ' ' ILE . 2.2 mtm-85 -163.01 70.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 15.6 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.534 0.207 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 75.1 m -139.03 163.78 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.2 p90 -144.34 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -134.97 132.72 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 57' ' ' ILE . 5.5 tt -120.97 110.03 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -119.21 163.73 16.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.4 t60 -104.35 122.03 45.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mp -51.16 -22.03 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 65.44 66.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -127.26 -77.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.68 151.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -125.11 35.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.642 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.0 m95 -134.17 151.87 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -98.01 144.32 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.19 -41.25 91.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -114.31 -161.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.556 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -125.9 -146.57 6.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -38.1 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -108.52 47.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.35 53.54 3.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -121.49 126.74 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.98 -62.59 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.9 t -145.22 157.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.51 -57.8 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.642 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -141.82 -48.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 p -82.18 -47.21 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 15.0 p90 -109.1 -176.08 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -165.45 124.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' NH2' ' A' ' 60' ' ' ARG . 2.3 mm -103.18 135.63 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.7 mt -131.79 162.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 104' ' ' ILE . 5.3 ttp180 -134.18 139.78 46.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 105' ' ' ARG . . . -110.78 171.55 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -79.97 -50.16 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 151.0 49.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 9.3 tt0 -40.65 -55.58 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.83 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -44.22 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.44 -45.97 52.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -54.32 -38.63 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -28.96 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.515 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 51.5 m95 -75.16 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.511 ' HB2' HG21 ' A' ' 57' ' ' ILE . 22.7 ptm -52.34 -25.75 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -81.99 -60.63 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.06 -40.08 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -56.08 -66.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -40.69 -43.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -69.22 -53.12 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -39.36 -66.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -52.59 -35.27 53.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 121' ' ' LEU . 7.8 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -51.47 148.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 30' ' ' LEU . 55.1 t -88.97 -62.12 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.555 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.1 ptm -162.25 157.33 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.7 123.53 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.24 161.84 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -74.7 107.68 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 ' CE3' ' A' ' 115' ' ' TRP . 75.8 mt -105.49 131.72 52.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 19.2 mttt -81.19 122.13 27.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 39' ' ' LYS . 4.0 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 t-105 -91.41 95.38 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 108.021 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 61.1 m -88.33 128.44 35.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 120.2 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 120.8 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.1 mttt -115.88 173.08 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 87.71 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.07 27.81 27.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.04 158.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.88 133.34 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.8 mp -115.37 158.42 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 128.12 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -124.71 140.51 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.9 mttt -47.09 -45.57 22.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -151.85 174.54 13.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.25 -30.66 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -100.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -43.27 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.88 74.12 1.25 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.88 -6.46 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 25.8 t90 67.77 155.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.71 -56.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.67 -176.61 42.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -137.28 136.55 38.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.764 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.458 HG21 HD13 ' A' ' 102' ' ' LEU . 45.1 t -102.63 129.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 81' ' ' ALA . 5.0 mt -93.2 124.99 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.19 39.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.535 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 25.5 m-80 -44.2 -38.47 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.85 58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 123' ' ' LEU . 29.7 m -97.02 156.14 16.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.2 173.94 7.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.541 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.26 134.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' CE ' ' A' ' 70' ' ' LYS . 1.4 pt -112.91 -32.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 20.3 tt0 88.2 157.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' CYS . 1.1 mtp85 -163.14 68.25 1.79 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 4.5 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.505 0.193 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ARG . 5.6 m -141.25 166.73 23.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.8 p90 -148.18 177.84 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.596 ' CE ' HD11 ' A' ' 58' ' ' ILE . 4.3 ttpt -133.47 153.88 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -141.27 110.64 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -119.19 173.88 6.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.4 t60 -116.9 121.92 32.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.0 mp -51.06 -23.24 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 65.56 56.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -115.54 -80.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.45 147.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -118.0 32.95 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -133.49 150.43 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -95.81 142.37 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.75 -40.79 89.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.16 -161.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -126.51 -145.75 6.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.03 -47.31 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.451 1.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -94.5 32.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.07 51.25 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.39 132.51 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.19 -59.9 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.74 155.06 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.17 -71.63 1.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -141.75 -45.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.92 -54.99 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 11.7 p90 -96.9 176.1 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.908 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -159.84 109.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.9 mm -84.43 133.09 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 14' ' ' LEU . 5.8 mt -132.71 161.98 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 58.6 ttt85 -139.32 132.46 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.527 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -100.92 162.28 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -55.37 35.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -135.09 172.57 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -53.5 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -41.17 -64.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.527 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -48.75 -51.94 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -52.77 -33.31 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -37.02 29.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.659 ' CE3' HD11 ' A' ' 14' ' ' LEU . 43.8 m95 -65.25 -58.13 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.957 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.405 ' O ' HD13 ' A' ' 57' ' ' ILE . 20.7 ptm -56.47 -30.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.91 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.24 -32.1 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' ALA . 12.0 mt -67.07 -69.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 123' ' ' LEU . 35.5 mt-10 -38.28 -37.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.5 mt -74.09 -51.98 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.1 -63.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -54.23 -35.56 62.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.4 mmtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -47.15 146.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 30' ' ' LEU . 66.4 t -85.75 -62.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.6 ptm -162.2 157.18 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.61 127.8 24.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -155.47 170.18 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -89.59 106.95 18.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 115' ' ' TRP . 23.3 mt -109.93 145.58 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.6 mttt -97.1 131.7 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.0 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.603 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.3 t-105 -96.72 95.9 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 29.0 m -88.39 130.24 35.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.85 118.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.22 125.86 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.6 mttm -119.37 173.82 3.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -75.0 87.19 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.887 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.09 26.97 29.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.908 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.46 156.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -120.13 156.07 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.53 126.0 38.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -122.08 146.4 47.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.7 mttt -55.38 -50.12 70.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -145.93 166.53 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -26.31 38.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -77.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.5 t-20 -82.09 53.79 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.82 91.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 8.6 mt-30 -89.58 -3.75 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.744 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 21.6 t90 69.36 147.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.01 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.7 t -124.44 -46.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.5 -178.65 48.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -138.51 137.94 37.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 79' ' ' ILE . 35.9 t -104.89 130.97 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.7 mt -95.01 129.75 41.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.54 38.99 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.84 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.53 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 m -99.1 155.89 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG2' ' CE1' ' A' ' 72' ' ' PHE . 7.4 pt-20 -122.44 176.37 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.75 136.41 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.83 -30.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 1.2 tt0 85.65 148.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -162.61 75.94 2.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 113' ' ' ARG . 10.0 t80 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.554 0.216 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.2 m -129.7 158.39 39.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 1.8 p90 -136.96 -179.84 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 123.87 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -112.93 115.46 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.609 ' CE1' ' HG2' ' A' ' 56' ' ' GLU . 4.6 p90 -120.89 168.67 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.584 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.3 t60 -106.64 121.87 43.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.92 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.4 mp -55.93 -21.29 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.95 53.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -115.76 -79.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -178.52 156.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.98 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -125.96 41.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.3 m95 -137.65 139.88 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -84.16 137.45 33.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.79 -40.32 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.531 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.32 -159.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.85 -145.71 5.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -100.0 48.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.83 92.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -157.98 142.63 16.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -51.75 -56.92 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 89' ' ' ALA . 2.4 t -152.85 164.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.61 -50.88 1.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.507 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -143.16 -49.09 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.03 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 p90 -110.9 -176.72 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.98 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -163.55 123.09 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -100.98 137.43 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -133.63 163.5 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 66.8 ttt180 -138.56 137.0 36.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.23 165.41 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -64.08 -59.35 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 m -121.96 156.74 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.7 tt0 -43.99 -54.18 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -68.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -42.27 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.08 -50.17 9.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.5 mtm180 -57.26 -35.12 69.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.77 -31.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD2' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -71.4 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.527 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 4.3 ppp? -59.4 -22.66 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.9 m-20 -85.75 -57.21 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.9 -43.66 28.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.513 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -41.09 -40.25 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.6 mt -72.05 -53.33 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.07 -63.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -55.93 -34.2 65.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 121' ' ' LEU . 13.1 mmtt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -52.58 148.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.678 ' CG1' HD13 ' A' ' 30' ' ' LEU . 74.7 t -87.9 -62.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.53 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.2 ptm -161.17 156.14 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.4 126.44 19.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -155.88 167.29 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -84.78 105.82 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 28' ' ' CYS . 73.5 mt -102.39 157.83 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.1 mttt -108.5 133.23 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 39' ' ' LYS . 71.2 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' ' CG ' ' A' ' 41' ' ' GLN . 72.2 t-105 -98.89 96.99 8.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 108.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' HB2' HD12 ' A' ' 14' ' ' LEU . 15.1 m -92.6 132.62 36.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.86 119.55 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.74 120.85 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.888 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.5 mttm -115.68 173.1 3.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.02 88.42 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.896 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.56 26.57 32.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.61 156.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.17 134.73 28.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.4 mp -115.58 154.87 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.34 124.19 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -119.22 147.32 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.2 mtpt -54.86 -36.69 65.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -162.55 173.59 13.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.587 ' CG ' ' CD2' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -87.4 -46.69 9.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' GLN . 2.2 mmtt -44.47 -93.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.87 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 70.95 1.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.99 -8.62 59.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 23.2 t90 67.79 146.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' CG ' ' A' ' 39' ' ' LYS . 69.1 t -119.65 -52.17 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.16 -179.67 48.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -131.44 150.09 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.426 HG21 HD13 ' A' ' 102' ' ' LEU . 44.2 t -114.51 132.13 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.6 mt -92.76 131.65 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -114.8 40.71 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 7.4 m120 -44.14 -43.21 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.47 60.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.664 ' CB ' HD21 ' A' ' 71' ' ' LEU . 6.9 m -96.23 161.54 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -124.47 175.45 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.592 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.6 pt -115.19 -34.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER 87.74 149.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 8.0 mtp180 -151.33 72.78 8.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 17.2 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.462 0.172 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.1 m -148.42 172.03 15.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.73 179.03 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.677 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -142.68 143.25 32.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 55' ' ' CYS . 2.9 tt -124.69 112.27 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.7 p90 -119.09 163.84 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.5 t60 -106.99 123.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.6 mp -55.6 -20.69 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 tt0 83.13 28.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -91.71 -171.57 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -100.5 127.44 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.023 HD12 HD12 ' A' ' 102' ' ' LEU . 3.2 pt -92.57 41.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.7 m95 -138.64 149.96 45.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.24 138.85 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.537 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.9 m -68.02 -42.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.7 mtmt -97.14 -164.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -139.65 -148.12 5.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -25.94 11.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.7 mmtt -130.28 58.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.94 70.22 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.4 mt-10 -135.38 129.15 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.37 -57.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -165.07 156.96 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.476 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -87.46 -72.27 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.01 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.416 1.745 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 17.5 t -142.79 -46.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -53.21 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 23.7 p90 -103.01 -178.19 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.023 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -163.64 115.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 70' ' ' LYS . 17.4 mm -88.56 137.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt -136.3 158.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -137.94 138.48 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -108.73 173.29 6.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.92 -60.48 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.93 153.08 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.592 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.6 tt0 -42.51 -37.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -66.4 -59.4 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' SER . 2.0 m-20 -40.73 -60.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.434 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -53.5 -51.38 48.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -49.54 -40.15 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -34.19 67.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.53 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 42.9 m95 -69.11 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.014 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 26.3 ptm -49.76 -31.76 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.52 -54.66 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.34 -47.94 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -51.35 -67.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -35.92 -53.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 40.0 mt -59.17 -53.24 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -39.46 -70.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 55' ' ' CYS . 2.3 pp -53.25 -32.16 47.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.7 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -55.69 167.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.767 ' CG1' HD13 ' A' ' 30' ' ' LEU . 47.2 t -114.93 -58.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.535 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 7.3 ptm -161.74 147.75 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.86 130.52 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 5.8 t70 -155.79 171.44 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.445 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 90.8 m95 -87.51 106.8 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 28' ' ' CYS . 25.3 mt -108.2 151.42 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -104.3 131.36 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.2 t-105 -97.71 98.05 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB2' HD12 ' A' ' 14' ' ' LEU . 10.4 m -93.94 126.32 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 39.0 t -106.09 125.56 61.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -90.94 117.4 29.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' HG23 ' A' ' 34' ' ' VAL . 15.6 mttt -112.95 171.18 4.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 86.53 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.06 26.2 26.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.38 154.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' VAL . 3.2 tp -138.39 134.88 34.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.566 HD13 ' HE3' ' A' ' 31' ' ' LYS . 1.1 mp -116.23 157.23 25.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.65 130.79 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.9 m-85 -128.91 138.6 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 mttt -45.62 -47.21 14.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.3 t -147.91 175.6 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -93.0 -30.56 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.49 -92.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -57.3 -57.81 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.21 76.25 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -82.24 -8.24 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.2 t90 66.53 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 108.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.73 -58.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 178.72 43.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.11 138.64 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 102' ' ' LEU . 46.3 t -105.78 129.92 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -90.32 130.65 36.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 45.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -44.21 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.08 57.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 24.4 m -95.57 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.347 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -128.75 168.2 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.654 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 138.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.705 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -115.38 -33.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 14.5 tt0 85.72 147.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.9 mmm180 -151.62 67.8 7.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.616 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.5 t80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.431 0.157 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.8 m -135.46 168.89 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 12.4 p90 -154.6 179.07 9.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.705 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -143.4 145.38 32.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 57' ' ' ILE . 4.0 tt -125.97 112.85 16.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.498 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.9 p90 -124.19 159.92 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -89.37 128.18 52.16 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.76 5.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.5 4.74 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 42.36 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -125.95 -79.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -178.31 125.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.825 HD12 HD12 ' A' ' 102' ' ' LEU . 3.3 pt -103.33 38.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -138.35 150.22 46.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.933 ' HB1' ' HE3' ' A' ' 83' ' ' LYS . . . -100.12 145.2 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 83' ' ' LYS . 13.1 m -67.77 -41.61 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.933 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -107.44 -167.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -128.67 -145.31 5.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -39.31 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 85' ' ' PRO . 1.6 mptt -106.6 46.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 37.29 58.8 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -120.2 137.41 54.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.61 -58.56 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -164.34 151.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -79.34 -128.16 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.99 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.2 t -139.61 -53.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.2 m -83.37 -49.71 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 7.0 p90 -102.62 179.48 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.825 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -162.93 111.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.448 HD13 ' HB3' ' A' ' 70' ' ' LYS . 2.9 mm -89.46 135.63 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt -135.44 163.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 104' ' ' ILE . 4.6 ttt180 -137.78 137.96 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.426 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -109.05 179.87 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -77.68 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -118.93 163.09 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -43.13 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -63.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.18 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -49.07 -46.72 33.29 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 16.7 mmt180 -55.12 -39.01 68.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -40.52 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.535 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 45.9 m95 -60.85 -65.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.494 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 2.2 ppp? -54.2 -22.37 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.2 m-20 -81.69 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.37 -51.67 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -40.85 -65.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -44.73 -41.35 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 118' ' ' ALA . 21.1 mt -67.56 -52.58 37.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -54.31 -33.49 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 121' ' ' LEU . 5.9 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -51.7 148.77 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 30' ' ' LEU . 76.4 t -88.79 -63.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.5 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.1 ptm -160.55 155.49 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -137.65 125.76 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -155.88 161.78 40.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -81.4 111.1 17.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 104' ' ' ILE . 98.4 mt -107.4 146.46 31.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.8 mttt -96.88 130.68 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.44 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.9 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 70.8 t-105 -96.77 97.72 9.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 13.7 m -91.98 131.47 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.84 119.36 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.75 119.45 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 34' ' ' VAL . 7.9 mttt -113.82 173.33 2.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 86.37 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.9 27.63 28.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.63 152.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' THR . 3.7 tp -134.93 137.95 43.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.2 mp -119.32 149.78 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.78 122.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 90.0 m-85 -119.37 149.59 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.0 mtpt -52.03 -42.7 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -157.8 175.02 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.37 -33.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.66 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.62 94.12 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.9 mt-30 -107.45 -5.04 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 62.87 158.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.07 -56.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 -179.27 41.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.0 m -139.46 146.42 40.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 102' ' ' LEU . 61.6 t -114.53 133.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.01 138.04 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -120.8 58.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -80.18 -22.1 42.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.65 46.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.976 ' HB3' HD11 ' A' ' 71' ' ' LEU . 65.3 m -94.24 136.04 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.919 ' O ' HD13 ' A' ' 71' ' ' LEU . 37.1 mt-10 -118.99 149.8 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -108.68 135.82 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 70' ' ' LYS . 1.8 pt -113.86 -29.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.5 tt0 86.67 159.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.439 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 7.1 mtp180 -171.71 85.68 0.47 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 5.3 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ARG . 14.6 m -147.79 163.16 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -135.92 167.66 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -128.35 117.09 20.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -108.18 116.71 32.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 71' ' ' LEU . 21.7 p90 -118.67 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.5 t-160 -126.78 116.95 22.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.97 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.5 mp -46.31 -25.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 74' ' ' PRO . 20.4 mt-10 64.48 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -116.46 -85.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.4 t 179.23 123.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.046 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -90.89 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -143.74 146.21 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.78 143.47 31.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.591 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.5 m -58.39 -33.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -127.73 -134.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.38 -145.68 4.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.43 74.87 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -141.64 127.5 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.2 -62.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.8 t -147.04 163.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.82 -56.04 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.02 -179.35 4.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -128.33 -40.65 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -52.87 4.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 12.5 p90 -102.85 -179.21 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.37 109.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.1 mm -90.62 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.629 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -134.94 154.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -130.83 134.41 46.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.44 167.48 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -66.11 -62.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -118.37 144.78 45.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 14.9 tt0 -37.98 -48.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.2 -55.85 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.066 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.14 -57.57 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.1 -48.78 61.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.7 mtm180 -55.07 -33.58 62.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -33.64 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 14' ' ' LEU . 33.8 m95 -67.83 -60.2 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.025 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 57' ' ' ILE . 3.3 ppp? -57.01 -23.43 46.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 3.9 m-20 -85.0 -56.5 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.36 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.0 mt -57.08 -69.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -37.23 -49.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -63.95 -50.57 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -40.8 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -53.17 -29.72 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -53.41 147.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 30' ' ' LEU . 79.8 t -84.49 -63.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.56 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -162.84 156.76 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.727 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.31 127.26 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.01 169.89 23.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -85.51 112.63 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD13 HG21 ' A' ' 104' ' ' ILE . 82.3 mt -111.89 160.53 17.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.505 ' C ' HD12 ' A' ' 16' ' ' ILE . 14.5 mttt -120.46 123.62 43.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 39' ' ' LYS . 67.8 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.727 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.8 t-105 -99.77 96.63 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' A' ' 14' ' ' LEU . 23.3 m -92.61 125.35 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.05 119.65 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD12 ' CE3' ' A' ' 115' ' ' TRP . 1.1 tt -86.4 122.85 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.873 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.8 mttm -117.29 171.53 4.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.886 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.29 24.91 30.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.18 157.18 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tp -141.55 133.3 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.9 mp -114.36 160.47 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.43 130.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -124.52 142.63 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.1 mtpt -52.26 -42.29 63.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.2 t -155.33 166.35 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -46.46 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -94.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.75 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' H ' HG23 ' A' ' 40' ' ' THR . . . 74.56 75.92 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.123 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.75 -5.15 59.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.3 t90 67.98 146.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.008 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 39' ' ' LYS . 22.7 t -118.45 -55.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.89 -175.68 41.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 141.36 46.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 102' ' ' LEU . 49.0 t -103.3 128.75 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.2 mt -90.5 128.01 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -113.21 51.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.552 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 2.2 m-80 -58.98 -33.78 71.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.65 58.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' HD13 ' A' ' 123' ' ' LEU . 20.6 m -97.44 156.09 16.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.22 170.25 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.01 136.44 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.71 -31.47 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 28.0 tt0 87.49 154.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.245 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.9 mtt-85 -168.06 81.02 0.82 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.97 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.525 0.202 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.6 m -147.45 170.13 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 9.9 p90 -149.71 179.4 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 103' ' ' ILE . 8.7 ttpt -134.37 154.63 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 57' ' ' ILE . 5.1 tt -139.37 109.17 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -122.1 159.63 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.4 t60 -100.33 122.3 50.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.83 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.586 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.2 mp -50.37 -33.27 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.08 52.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -112.1 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -175.21 155.74 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.036 HD12 HD12 ' A' ' 102' ' ' LEU . 2.1 pt -125.84 34.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -136.79 150.57 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.026 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.851 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -105.1 138.37 41.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.587 HG23 ' HE2' ' A' ' 83' ' ' LYS . 34.3 m -64.81 -43.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -96.08 -165.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -136.9 -147.87 5.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -118.08 53.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . . . 37.75 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -164.3 131.27 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.81 -53.91 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -168.21 159.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.39 -104.02 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.01 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.72 -44.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.96 -53.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 2.1 p90 -90.56 166.62 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.036 HD12 HD12 ' A' ' 79' ' ' ILE . 1.6 mt -155.12 109.88 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.9 mm -85.43 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.763 HG21 HD13 ' A' ' 14' ' ' LEU . 5.4 mt -136.49 145.6 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -123.71 137.75 54.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' ' OD2' ' A' ' 111' ' ' ASP . . . -104.83 -176.17 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -48.95 8.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.29 157.85 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -39.16 -57.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.67 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.562 ' OD2' ' HB1' ' A' ' 106' ' ' ALA . 35.3 t70 -40.3 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.33 -55.01 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.48 -30.38 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -34.02 37.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.585 ' CE3' HD12 ' A' ' 30' ' ' LEU . 47.0 m95 -70.21 -65.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.434 ' HB2' HG21 ' A' ' 57' ' ' ILE . 23.9 ptm -50.32 -27.46 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -82.3 -58.69 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.91 -35.61 6.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.56 -67.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 39.0 mt-10 -39.6 -38.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 124' ' ' LYS . 23.7 mt -75.12 -51.34 13.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.47 -60.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 120' ' ' GLU . 1.4 pp -58.61 -33.97 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -47.5 147.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.98 -63.74 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.676 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -154.54 162.53 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.757 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.99 121.91 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.11 171.15 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.31 117.18 25.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 107.994 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 115' ' ' TRP . 82.3 mt -118.12 147.56 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -102.03 125.53 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 39' ' ' LYS . 47.3 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.757 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.6 t-105 -96.3 99.27 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' HD12 ' A' ' 14' ' ' LEU . 35.4 m -91.81 136.75 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.11 119.91 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -85.89 125.64 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 34' ' ' VAL . 4.7 mttt -118.62 174.75 2.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.96 84.28 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.894 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.94 27.53 23.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.86 155.06 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tp -138.25 139.15 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 2.5 mp -120.09 156.46 30.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.09 125.72 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.78 150.6 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.651 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.4 mtpt -54.99 -39.99 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -161.01 173.01 15.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.65 -27.72 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -72.03 -92.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -47.24 -55.97 7.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.587 ' H ' HG23 ' A' ' 40' ' ' THR . . . 67.6 90.82 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.1 mt-30 -109.13 -3.94 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.8 t90 61.25 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.16 -56.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.6 173.35 46.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.9 m -123.75 148.22 46.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -110.75 129.78 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.4 mt -90.8 132.3 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -117.78 45.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -47.04 -40.67 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.0 60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 123' ' ' LEU . 6.9 m -96.71 157.92 15.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.86 168.22 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.25 133.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.34 -28.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 12.4 tt0 82.33 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 71.95 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.95 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.533 0.206 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.77 169.2 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.4 p90 -150.53 178.89 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 130.23 23.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.532 HD12 HD12 ' A' ' 57' ' ' ILE . 4.5 tt -115.93 109.35 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -116.02 166.41 12.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.9 t-80 -111.35 124.02 33.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.6 tt0 81.83 33.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 36.8 mm-40 -93.17 -172.74 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m -103.51 119.71 39.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.035 HD12 HD12 ' A' ' 102' ' ' LEU . 3.7 pt -85.67 49.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.603 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.1 m95 -147.56 146.83 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.747 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -99.39 135.34 40.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.2 m -64.52 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -99.6 -164.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.39 -150.68 6.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -20.77 16.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 87' ' ' GLY . 9.0 mmtp -131.86 57.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 30.24 67.52 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.563 1.164 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -130.94 129.66 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.99 -51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -169.23 158.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -84.3 -83.18 0.98 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.603 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.96 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.539 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.6 t -134.29 -44.58 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -54.4 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.8 p90 -101.94 -176.13 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.035 HD12 HD12 ' A' ' 79' ' ' ILE . 1.5 mt -165.4 110.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -90.0 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -132.65 161.94 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 104' ' ' ILE . 62.4 ttt-85 -134.0 129.26 35.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.15 176.78 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.32 -59.82 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -131.47 164.59 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -41.07 -52.55 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -47.89 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -69.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.91 -48.02 14.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.2 mmt180 -54.97 -38.29 67.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.357 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -40.0 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.281 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.9 m95 -62.45 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.499 ' HB2' HG21 ' A' ' 57' ' ' ILE . 1.6 ppp? -54.46 -20.52 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 116' ' ' MET . 16.5 m-20 -85.03 -60.11 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.498 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -48.43 -46.01 37.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.6 mt -50.88 -69.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -37.25 -52.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.04 -54.03 49.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.32 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.9 pp -53.22 -33.62 53.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mttm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -53.72 168.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.791 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 30' ' ' LEU . 43.0 t -115.37 -59.84 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 7.1 ptm -160.24 148.13 16.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.86 130.82 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -156.21 171.61 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -89.11 106.0 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 28' ' ' CYS . 23.9 mt -107.86 160.65 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.7 mttt -110.65 122.67 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.0 t-105 -99.75 96.82 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 14' ' ' LEU . 14.5 m -88.68 128.57 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 35' ' ' LEU . 38.5 t -111.91 121.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -87.49 117.98 26.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.879 ' HB3' HG23 ' A' ' 34' ' ' VAL . 17.4 mttt -112.49 171.3 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -75.09 86.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.891 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.85 25.57 26.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.21 161.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.1 tp -144.92 136.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 38' ' ' TYR . 2.0 mp -117.46 153.78 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.02 122.33 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 36' ' ' LEU . 55.0 m-85 -120.75 148.55 43.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HA ' HD22 ' A' ' 26' ' ' LEU . 8.1 mttt -52.47 -40.87 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -157.87 173.86 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.544 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.34 -29.13 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -67.27 -102.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.53 93.77 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -106.88 -4.14 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.8 t90 64.15 155.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.4 t -133.25 -56.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.22 176.11 43.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -133.38 142.63 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 102' ' ' LEU . 32.2 t -108.88 133.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 34' ' ' VAL . 6.9 mt -97.58 129.16 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 mt -101.54 51.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.705 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.4 m120 -73.29 59.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 84.3 50.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 73.8 m -94.55 144.97 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -116.79 164.29 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -119.43 139.15 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.712 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.2 pt -113.61 -32.55 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 21.3 tt0 85.07 151.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -154.29 68.35 5.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.541 1.811 . . . . 0.0 110.969 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 9.7 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.495 0.188 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.4 m -146.85 166.55 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.3 p90 -148.89 -179.2 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.712 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -145.75 141.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 HD12 ' A' ' 57' ' ' ILE . 2.8 tt -121.82 119.08 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 50.7 p90 -127.72 173.37 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 11.7 t-80 -109.44 131.08 22.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -74.98 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 mp -60.67 -19.05 57.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 67.26 59.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -115.12 -93.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -163.99 137.32 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.746 HD12 HD12 ' A' ' 102' ' ' LEU . 7.2 pt -107.68 35.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.491 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.5 m95 -132.77 138.89 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.35 141.07 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.704 HG23 ' HE2' ' A' ' 83' ' ' LYS . 14.4 m -57.78 -34.15 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.704 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -128.57 -133.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.67 -147.44 4.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -75.01 -48.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.11 40.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.42 75.75 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ALA . 7.1 mt-10 -144.32 133.41 22.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.66 -56.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.524 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.1 p -168.6 166.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -116.59 -71.32 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 7.1 t -145.23 -50.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -81.94 -44.52 16.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 22.7 p90 -113.39 -174.87 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 79' ' ' ILE . 2.1 mt -163.73 115.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.673 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.8 mm -95.66 134.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.3 mt -133.46 162.36 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttt180 -136.62 134.28 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -106.54 158.88 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -118.04 152.91 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.594 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.8 tt0 -40.93 -60.81 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' ASP . 67.3 m -43.29 -62.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' SER . 26.2 t0 -39.9 -65.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.466 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.87 -40.74 42.84 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -58.6 -43.42 89.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -29.82 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.531 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 49.3 m95 -73.36 -62.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.5 ppp? -57.65 -21.04 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.7 m-20 -85.27 -60.52 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.03 -52.25 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.403 HD13 HD11 ' A' ' 57' ' ' ILE . 8.5 mt -40.35 -64.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.7 -39.91 12.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 118' ' ' ALA . 27.1 mt -68.17 -53.86 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.82 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -52.17 -35.89 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 121' ' ' LEU . 15.8 mttt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -47.29 143.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG1' HD13 ' A' ' 30' ' ' LEU . 75.4 t -85.08 -62.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.545 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.4 ptm -161.5 156.86 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.519 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.99 127.81 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -155.52 168.38 27.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -87.76 106.2 17.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD13 HG21 ' A' ' 104' ' ' ILE . 51.0 mt -106.28 138.58 42.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' HD12 ' A' ' 16' ' ' ILE . 5.4 mttt -91.76 135.82 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.5 t-105 -97.75 100.05 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 14' ' ' LEU . 62.0 m -91.68 127.92 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.41 118.09 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -86.25 120.94 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.3 mttp -114.12 174.64 2.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.0 87.22 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.899 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.98 26.7 33.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.81 147.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.52 142.1 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -122.86 156.01 35.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.94 122.23 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 36' ' ' LEU . 84.9 m-85 -120.76 145.17 47.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.4 mtpt -51.12 -45.02 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -150.82 164.13 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.19 -48.26 36.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -87.51 63.73 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.67 90.78 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.6 -2.44 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.612 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.6 t90 67.69 139.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.75 -48.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.23 164.24 32.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -119.67 145.61 46.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 102' ' ' LEU . 62.1 t -112.0 130.13 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 81' ' ' ALA . 15.5 mt -89.86 134.61 34.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -121.65 48.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -56.57 -40.06 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -171.04 58.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.606 ' O ' HD13 ' A' ' 123' ' ' LEU . 28.3 m -96.09 161.75 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -131.3 167.56 19.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.29 139.66 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -117.59 -33.43 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 6.9 tt0 88.2 145.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -155.62 71.0 5.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.8 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.35 162.73 32.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.5 p90 -146.31 176.92 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.65 130.02 23.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 57' ' ' ILE . 5.3 tt -115.75 110.6 19.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.525 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 34.2 p90 -119.87 169.1 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.8 t60 -104.5 124.53 36.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.64 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 75' ' ' LEU . 3.5 mp -69.67 -7.86 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 3.5 mt-10 71.63 36.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -93.29 -172.08 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -102.54 114.22 28.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 102' ' ' LEU . 3.8 pt -83.02 50.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.641 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -149.96 135.61 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -70.64 144.25 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.504 HG23 ' HE3' ' A' ' 83' ' ' LYS . 24.2 m -61.41 -33.14 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -126.55 -129.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -148.05 -146.47 4.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.04 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.99 49.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.31 75.18 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -140.09 131.61 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.74 -54.74 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -166.79 150.4 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.515 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -77.29 -110.46 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.02 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 36.5 t -145.15 -48.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -82.49 -42.43 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.564 ' O ' HD11 ' A' ' 79' ' ' ILE . 27.7 p90 -116.25 -174.46 2.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.4 123.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 15.1 mm -98.76 135.42 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 14' ' ' LEU . 4.9 mt -135.9 145.47 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttm-85 -119.9 131.19 55.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.06 169.6 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -70.41 -62.11 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.93 166.64 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -48.87 51.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.1 m -53.8 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' SER . 1.0 OUTLIER -39.81 -65.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.01 -47.37 48.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 8.1 mmm180 -55.18 -37.48 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -37.31 58.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 42.2 m95 -64.76 -62.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.451 ' O ' HD13 ' A' ' 57' ' ' ILE . 2.1 ppp? -56.37 -23.09 35.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 116' ' ' MET . 32.1 m-20 -82.47 -64.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.57 -43.75 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mt -52.39 -65.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.574 ' HA ' HD21 ' A' ' 123' ' ' LEU . 42.1 mt-10 -42.51 -37.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 124' ' ' LYS . 28.8 mt -74.73 -52.68 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -54.79 -36.92 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -48.34 156.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 30' ' ' LEU . 10.5 t -102.02 -63.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.674 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.61 155.86 42.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.953 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.48 119.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' HB2' ' SD ' ' A' ' 10' ' ' MET . 1.1 t0 -156.48 168.42 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -85.56 109.78 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.985 HD11 ' CD2' ' A' ' 115' ' ' TRP . 38.2 mt -108.39 144.07 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.2 mttt -98.19 135.71 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 85.2 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.953 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 62.5 t-105 -101.24 97.24 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB2' HD12 ' A' ' 14' ' ' LEU . 65.8 m -90.93 132.29 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.58 118.35 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -85.46 127.2 34.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.944 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.0 mttt -119.1 175.33 2.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.95 26.73 25.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.944 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.53 151.6 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 49' ' ' THR . 3.6 tp -132.02 147.59 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.1 mp -127.47 151.42 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 125.18 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.7 m-85 -123.29 146.55 47.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.0 mtpt -53.44 -38.83 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.7 t -159.92 175.67 12.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.432 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.95 -29.37 17.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -63.68 -98.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.28 -63.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 70.71 1.28 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.37 -7.28 59.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.7 t90 67.9 156.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 66.1 t -131.23 -51.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.69 175.35 47.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.3 m -132.07 145.91 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.522 HG21 HD13 ' A' ' 102' ' ' LEU . 43.9 t -111.66 130.27 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -90.26 130.45 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 53.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.58 -35.63 80.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.13 58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.655 ' O ' HD13 ' A' ' 123' ' ' LEU . 27.6 m -97.4 149.26 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 27.3 mp0 -117.64 174.18 6.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -133.02 138.59 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -118.34 -32.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.2 tt0 89.48 151.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' CYS . 2.4 mtm-85 -163.58 88.41 1.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 113' ' ' ARG . 5.1 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.492 0.187 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' ARG . 73.0 m -144.86 160.63 40.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -138.17 173.47 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -131.79 137.86 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.1 tt -126.71 109.88 12.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -114.22 168.1 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 74' ' ' PRO . 1.7 t60 -119.68 124.82 27.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.02 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.4 mp -48.39 -26.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 64.94 56.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -109.33 -91.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t -173.17 120.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.74 ' CD1' HD12 ' A' ' 102' ' ' LEU . 4.0 pt -91.82 40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -138.26 139.16 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.12 145.13 40.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.71 HG23 ' HE2' ' A' ' 83' ' ' LYS . 2.7 m -63.73 -29.33 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.71 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -129.81 -132.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.31 -146.27 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 48.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.96 81.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.56 136.96 28.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.56 -58.07 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -165.2 152.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.06 -108.31 0.41 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.465 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.5 Cg_endo -74.94 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.1 t -136.8 -55.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -82.28 -53.94 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 4.7 p90 -96.46 177.25 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.74 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.7 mt -161.65 119.96 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mm -97.85 134.7 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 14' ' ' LEU . 3.6 mt -133.37 153.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -129.5 132.92 47.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.87 157.34 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -66.21 -56.48 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.66 142.41 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 16.0 tt0 -38.81 -50.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.39 -62.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -45.36 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.59 -51.02 10.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 67' ' ' PHE . 5.4 mtm180 -56.9 -33.31 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -38.14 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.985 ' CD2' HD11 ' A' ' 14' ' ' LEU . 48.7 m95 -63.92 -57.73 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.471 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.6 ppp? -61.35 -23.01 65.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 9.4 m-20 -83.29 -62.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.51 11.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.09 -68.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.645 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -39.08 -38.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 124' ' ' LYS . 20.2 mt -73.19 -56.53 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.34 -63.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -53.82 -36.23 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.0 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.86 145.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 30' ' ' LEU . 73.3 t -83.14 -63.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.55 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -161.95 157.33 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.48 127.6 22.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.04 169.15 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -85.38 106.18 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.617 HD13 HG21 ' A' ' 104' ' ' ILE . 61.3 mt -108.04 137.2 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 tttt -95.37 131.6 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 39' ' ' LYS . 40.4 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.5 t-105 -97.93 98.51 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.1 m -93.27 128.58 39.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.8 119.89 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.564 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 121.61 29.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.903 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.6 mttt -115.78 172.79 3.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.69 25.73 31.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -167.26 152.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -135.19 138.48 43.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -119.8 159.11 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.47 132.03 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.462 ' OH ' HD22 ' A' ' 36' ' ' LEU . 70.9 m-85 -129.29 139.76 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 26' ' ' LEU . 5.8 mttt -45.59 -41.62 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.5 t -156.72 175.95 13.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.04 -35.52 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -53.84 -68.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.99 78.86 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.22 -6.29 48.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 25.4 t90 68.23 149.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.7 -54.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.46 47.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.2 m -128.71 137.91 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 60.8 t -104.51 127.43 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.0 mt -90.68 135.06 33.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -116.92 52.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 26.0 m-20 -55.95 -39.3 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.53 63.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.55 ' O ' HD13 ' A' ' 123' ' ' LEU . 26.5 m -100.73 152.69 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -119.19 174.02 6.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -131.04 132.03 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -113.02 -32.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER 89.5 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -156.8 70.36 4.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 2.8 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.4 m -142.42 162.22 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.5 p90 -138.43 173.38 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 135.72 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.3 tt -121.75 112.8 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -118.03 168.02 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.6 t60 -116.31 123.64 30.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HD2' ' CD2' ' A' ' 73' ' ' HIS . 18.2 Cg_endo -74.98 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 8.8 mp -46.32 -26.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' PRO . 26.1 mt-10 65.78 59.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -115.84 -81.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.85 125.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.769 HD12 HD12 ' A' ' 102' ' ' LEU . 4.8 pt -96.4 40.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.609 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.5 m95 -138.35 151.18 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.949 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.63 139.42 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.768 HG23 ' HE3' ' A' ' 83' ' ' LYS . 29.3 m -66.87 -37.6 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.768 ' HE3' HG23 ' A' ' 82' ' ' VAL . 1.9 mtmt -103.38 -166.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.512 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.09 -147.0 6.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.02 -47.8 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -32.93 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.43 58.93 0.26 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.6 mp0 -129.61 140.23 51.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 0.722 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.49 -53.71 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.2 p -168.19 150.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.478 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.89 -103.48 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.609 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.1 Cg_endo -75.05 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 14.7 t -135.29 -46.6 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.46 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 19.2 p90 -101.29 -177.3 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.96 110.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.19 136.03 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HD13 ' A' ' 14' ' ' LEU . 4.1 mt -135.32 145.46 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' LYS . 32.9 ttt85 -121.46 128.04 51.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.97 171.27 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -68.43 -60.76 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.6 153.19 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.8 tt0 -38.67 -54.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -46.99 -64.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.24 -68.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.68 -50.59 10.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -53.92 -34.41 59.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -38.69 54.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.262 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.55 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 44.2 m95 -63.29 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.629 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -47.76 -32.31 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.28 -56.55 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.01 -43.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -56.19 -68.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -35.58 -50.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.69 -51.88 65.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.64 -68.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -52.46 -34.6 49.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 95.04 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.67 77.77 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.94 -61.86 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -179.05 -57.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.024 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -100.27 163.65 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.95 -49.17 81.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.42 147.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 30' ' ' LEU . 79.3 t -89.43 -64.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.0 ptm -159.6 156.43 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.773 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.51 129.34 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -155.96 164.92 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.555 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 88.1 m95 -85.51 106.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD21 ' NE1' ' A' ' 115' ' ' TRP . 31.3 mt -105.42 150.24 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.4 mttt -96.85 136.89 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -110.95 145.96 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -37.39 124.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.95 81.81 1.38 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.45 HG23 HD13 ' A' ' 20' ' ' LEU . 7.1 t -76.91 -22.49 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD21 ' HB3' ' A' ' 95' ' ' GLN . 1.2 mm? -78.67 -51.37 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.72 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -134.95 140.18 45.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 37.5 m95 -46.48 144.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -108.08 120.98 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.4 tttt -86.35 93.89 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 39' ' ' LYS . 72.8 mt -96.11 168.81 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.773 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.4 t-105 -98.4 98.39 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 14' ' ' LEU . 25.5 m -93.92 132.36 38.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.87 119.8 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -85.86 116.63 24.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.925 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.8 mttt -110.78 173.41 2.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 89.66 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.888 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.21 27.18 34.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -167.74 158.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.723 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tp -139.18 136.05 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -115.85 154.76 29.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.35 130.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' ' 36' ' ' LEU . 96.4 m-85 -130.08 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.6 mttt -51.17 -42.61 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 2.7 t -156.1 175.16 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.95 -31.71 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -58.36 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.33 -66.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.74 68.56 1.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -78.58 -9.46 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 29.5 t90 67.16 145.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.77 -55.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 173.54 46.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -125.45 143.51 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 0.726 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 102' ' ' LEU . 49.1 t -113.23 135.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 81' ' ' ALA . 17.6 mt -98.63 137.09 37.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 47.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -51.82 -36.97 49.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.04 58.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 123' ' ' LEU . 17.7 m -97.78 159.13 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -126.97 166.8 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.549 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.89 138.89 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.84 -31.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' CG ' ' HE3' ' A' ' 116' ' ' MET . 11.4 tt0 84.11 155.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -164.16 67.21 1.45 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -8.31 19.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m 53.36 174.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -133.83 100.44 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -171.04 72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.95 -111.84 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.2 t80 -160.12 135.57 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.73 173.84 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.3 p90 -156.65 179.48 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -141.79 127.77 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -111.89 111.87 23.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 37.5 p90 -122.92 173.84 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -106.7 127.56 27.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.97 6.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -91.54 25.23 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.5 mt-10 36.49 90.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.26 -173.91 3.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 p -98.03 108.43 21.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 102' ' ' LEU . 3.1 pt -84.27 49.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.3 m95 -147.85 137.78 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -74.99 143.65 43.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.646 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.6 m -58.26 -33.35 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -127.19 -134.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.574 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.74 -145.25 4.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.94 -50.34 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -97.08 40.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.8 64.52 2.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -130.89 131.92 44.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -42.88 -60.82 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.6 t -149.39 156.76 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.49 -66.16 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.26 169.87 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -118.47 93.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 95' ' ' GLN . 5.9 t -116.35 -161.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.863 ' HB3' HD21 ' A' ' 20' ' ' LEU . 1.2 pt20 -42.39 159.99 0.19 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.0 40.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.84 165.83 32.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.99 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 23.0 t -141.47 -44.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -55.06 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 9.8 p90 -97.05 178.93 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 79' ' ' ILE . 1.7 mt -163.04 110.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 70' ' ' LYS . 4.5 mm -87.75 132.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.3 mt -132.66 160.86 42.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 21.1 ttt-85 -135.95 139.37 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.13 177.37 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -66.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 m -117.64 154.74 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -43.15 -40.72 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 m -58.49 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.59 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.69 -46.09 59.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -55.88 -35.17 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -35.26 55.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.551 ' NE1' HD21 ' A' ' 14' ' ' LEU . 47.5 m95 -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.9 ppp? -55.0 -22.79 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 116' ' ' MET . 30.3 m-20 -82.72 -60.62 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.1 34.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -45.58 -60.27 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.517 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.8 mt-10 -47.45 -39.68 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' SER . 27.3 mt -71.2 -53.49 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.01 -63.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -53.79 -36.08 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 121' ' ' LEU . 11.0 mmtt -86.28 12.65 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -111.09 -24.03 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.12 163.24 1.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.1 m 46.08 77.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.36 160.25 14.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.34 132.26 48.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -104.27 160.53 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.78 75.85 0.31 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.1 -66.71 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 -63.54 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.53 146.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.7 HG11 HD13 ' A' ' 30' ' ' LEU . 59.9 t -86.72 -64.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.8 ptm -160.27 157.08 27.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.1 128.98 23.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -155.86 170.37 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.6 m95 -87.44 109.77 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 HG21 ' A' ' 104' ' ' ILE . 19.3 mt -112.67 135.83 52.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.58 132.06 34.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -103.35 144.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.92 135.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.34 56.72 2.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -41.41 -49.07 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -65.56 -69.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -147.29 -54.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 p -121.63 157.35 31.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 32.1 m95 -59.37 159.52 7.84 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.7 m -125.38 123.75 40.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.3 tttt -84.45 94.36 8.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.5 mt -100.93 169.56 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -99.56 97.29 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 12.8 m -91.2 134.79 34.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.346 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.81 119.64 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD13 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -86.1 116.18 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.896 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.3 mttt -112.28 172.41 3.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 89.68 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.23 26.77 35.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.52 157.05 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.2 mp -116.88 155.82 28.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.81 126.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -124.93 139.18 54.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.4 mttt -46.6 -49.27 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -148.3 172.29 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.486 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -89.63 -28.91 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -46.91 -67.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.96 88.59 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.53 -6.18 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 67.9 152.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.43 -56.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.05 169.16 41.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 m -120.79 137.04 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 102' ' ' LEU . 45.9 t -104.6 128.04 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.82 130.84 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.01 49.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -34.86 64.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -178.53 62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.74 ' O ' HD13 ' A' ' 123' ' ' LEU . 33.5 m -99.67 163.83 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.68 174.96 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.771 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.72 142.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pp -123.51 -35.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.6 tt0 91.82 153.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -166.54 74.16 1.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.39 16.74 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m 52.82 -179.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.949 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -71.42 85.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 3.6 mmtm 60.39 114.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 64' ' ' LYS . 5.4 m-20 168.68 71.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.99 -100.02 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.8 t80 -177.69 126.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.4 m -140.83 163.11 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 108.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.1 p90 -143.52 176.23 9.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -135.37 130.14 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 57' ' ' ILE . 4.8 tt -120.19 110.48 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -117.32 168.61 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.6 t60 -112.27 121.5 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 73' ' ' HIS . 18.2 Cg_endo -75.07 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.4 mp -48.03 -26.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 65.21 60.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -117.2 -82.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -170.15 141.25 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 HD12 ' A' ' 102' ' ' LEU . 1.6 pt -117.23 25.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -132.66 143.17 49.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.05 159.17 27.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.717 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.6 m -74.27 -33.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.717 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -126.59 -133.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -146.46 -144.93 4.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.05 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.09 35.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.24 60.36 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.4 133.2 50.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.58 -60.12 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.91 156.21 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.18 -68.65 1.0 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 171.25 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.73 119.97 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p -141.35 -168.84 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.938 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -40.77 159.19 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.925 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -23.02 14.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 52.27 178.14 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.96 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 m -139.75 -46.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 p -92.59 -55.35 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 21.9 p90 -95.54 177.81 5.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -159.18 110.33 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 18.9 mm -84.15 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.3 mt -135.68 163.54 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.466 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttm180 -135.25 139.16 44.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.41 168.33 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.28 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.12 168.38 10.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.38 -54.1 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' ASP . 19.2 m -51.21 -59.64 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . 4.1 m-20 -40.14 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.28 -53.1 8.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -49.88 -35.4 23.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -38.06 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.551 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 37.8 m95 -64.3 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.52 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -51.08 -27.16 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.45 -62.42 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.29 -35.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.444 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -61.87 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.735 ' HA ' HD21 ' A' ' 123' ' ' LEU . 52.9 mt-10 -38.65 -37.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 124' ' ' LYS . 18.9 mt -75.97 -53.14 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -59.34 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -56.29 -33.97 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.8 mmtm -86.67 12.91 9.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.65 -32.08 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.01 176.51 23.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.39 22.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -175.59 165.42 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.5 m -143.5 100.75 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t 66.0 81.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -172.03 133.08 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 90.45 0.11 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.5 85.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.94 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -70.22 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -52.76 149.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.601 ' CG1' HD13 ' A' ' 30' ' ' LEU . 72.4 t -91.42 -62.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.536 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.3 ptm -160.4 157.19 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.84 127.66 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -155.72 169.08 25.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.532 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.3 m95 -87.85 106.3 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 107.96 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD13 HG21 ' A' ' 104' ' ' ILE . 43.1 mt -106.12 141.88 36.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.0 mttt -93.13 130.97 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -107.68 152.02 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 4.0 ttt85 -40.01 128.48 2.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 23' ' ' TRP . . . -92.84 167.07 29.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -151.35 -51.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD23 ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -55.35 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -114.7 -46.74 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 t -155.08 -173.71 4.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.497 ' CE2' ' HA ' ' A' ' 17' ' ' ARG . 11.4 m95 -64.61 160.3 20.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.0 m -113.05 126.0 55.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -91.69 90.47 7.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.4 mt -93.5 169.51 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -95.98 97.93 9.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' HD12 ' A' ' 14' ' ' LEU . 48.2 m -90.66 135.42 33.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -119.29 118.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.04 120.08 27.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.905 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.4 mttm -113.11 173.95 2.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -74.99 87.04 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.897 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.39 25.73 32.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.905 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.1 m -167.45 153.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -134.66 142.05 46.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -122.01 155.98 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.69 126.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 87.4 m-85 -124.39 144.68 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 26' ' ' LEU . 17.7 mttt -50.67 -52.95 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.39 -40.9 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' GLN . 6.5 mmtt -39.63 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 2.9 p30 -88.7 -54.56 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 77.6 88.22 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.38 -4.42 58.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.4 t90 68.15 153.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.963 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.75 -53.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.32 176.32 45.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.578 1.174 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -133.33 142.06 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 47.5 t -111.1 129.55 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 34' ' ' VAL . 12.7 mt -96.57 134.93 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -108.09 54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.687 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 34.8 m120 -70.95 59.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 83.32 53.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 74.1 m -97.19 156.69 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -125.87 165.45 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.64 139.32 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.3 pt -114.56 -32.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.0 tt0 84.94 149.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 3.6 mtm180 -158.05 69.2 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.17 20.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m 57.96 177.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -46.14 -64.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -152.77 116.8 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 176.77 60.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.19 -99.12 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.4 t80 -174.86 138.42 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -149.88 167.92 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.266 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.43 176.54 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -140.38 129.12 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -113.52 115.73 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' HE1' HG23 ' A' ' 58' ' ' ILE . 55.1 p90 -120.15 170.28 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 75' ' ' LEU . 8.9 t-80 -107.49 126.71 29.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -40.36 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 73' ' ' HIS . 5.8 mp -59.54 -18.95 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.99 53.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.61 -84.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -174.02 145.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 102' ' ' LEU . 3.6 pt -116.04 49.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.674 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.0 m95 -146.52 138.72 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -76.29 146.6 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.536 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.8 m -64.79 -32.85 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -125.04 -129.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -148.65 -145.54 4.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.96 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -93.38 46.54 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 83' ' ' LYS . . . 37.87 70.7 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.053 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 83' ' ' LYS . 12.2 mt-10 -136.05 135.49 39.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.84 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -164.08 154.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -90.28 -97.07 1.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.513 ' C ' HD13 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -98.2 177.88 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.016 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.513 HD13 ' C ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -125.09 128.02 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.425 ' CG2' ' CE ' ' A' ' 39' ' ' LYS . 41.7 p -139.49 -165.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.482 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.2 mt-30 -39.45 159.05 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.532 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -146.27 165.04 21.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.531 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.0 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 15.4 m -137.5 -45.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 p -79.84 -53.0 7.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 19.9 p90 -105.76 -174.59 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 79' ' ' ILE . 1.9 mt -165.44 120.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.0 mm -94.22 135.8 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.1 mt -136.35 163.28 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 104' ' ' ILE . 35.7 ttt180 -138.91 146.02 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -118.02 173.91 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.05 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.59 151.38 40.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -39.08 -40.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -67.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -42.26 -56.06 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.402 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -55.7 -47.19 79.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -56.1 -34.99 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -34.79 49.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 30.6 m95 -64.92 -59.25 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.01 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.515 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 ppp? -60.21 -24.92 65.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 5.2 m-20 -81.11 -53.45 6.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.8 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 12.4 mt -52.41 -68.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -37.3 -54.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 32.4 mt -60.27 -52.89 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.59 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -52.88 -30.36 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 mmtt -90.13 21.57 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER 62.57 127.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.87 -128.08 5.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.85 15.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 m -93.42 149.91 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.07 116.23 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.29 133.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -67.18 94.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.66 88.46 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -87.93 138.25 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.66 171.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.93 -51.56 23.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -49.86 147.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' CG1' HD13 ' A' ' 30' ' ' LEU . 69.9 t -87.84 -63.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 12.6 ptm -160.94 157.23 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.623 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.85 129.01 22.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -156.07 168.48 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.523 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.6 m95 -85.7 106.29 16.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 115' ' ' TRP . 81.8 mt -105.12 146.49 29.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.626 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.7 mttt -96.39 136.83 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp -113.14 153.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ILE . 19.4 ttt85 -38.19 137.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.99 94.23 1.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.3 p -94.02 -26.12 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -82.4 -71.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.58 -47.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 t -137.98 166.23 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 105' ' ' ARG . 33.7 m95 -53.56 130.8 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.2 m -92.36 130.06 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 6.7 tttt -96.55 88.47 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.3 mt -90.93 170.3 10.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 73.4 t-105 -101.51 96.03 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 m -89.94 137.88 31.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.39 119.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -85.99 118.81 25.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.2 mttt -113.71 173.76 2.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 86.67 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.885 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.54 27.07 30.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.924 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.44 150.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.86 138.51 45.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.03 157.13 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -136.95 135.9 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.44 140.9 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' HE2' HG23 ' A' ' 94' ' ' THR . 4.5 mttt -49.04 -38.11 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -164.51 173.35 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -86.14 -45.54 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -94.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.09 -70.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.79 0.88 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.48 -4.4 55.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 24.5 t90 68.03 149.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.34 -53.49 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.83 -177.81 46.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 138.48 45.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 102' ' ' LEU . 56.3 t -106.28 129.09 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.9 mt -90.93 134.06 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -117.38 36.28 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.62 -44.87 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.34 59.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.67 160.4 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.16 170.47 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -124.79 135.58 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -112.04 -31.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.9 tt0 87.82 154.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -164.47 85.84 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 18.5 Cg_endo -74.93 2.09 6.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.41 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 m 41.22 58.34 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt 66.18 -97.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 113.11 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 61' ' ' PRO . 1.0 OUTLIER 174.74 52.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.44 -113.8 3.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 4.1 t80 -171.42 116.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 39.3 m -131.23 161.57 31.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.7 p90 -138.7 -179.94 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.3 132.99 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.7 tt -119.65 112.7 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 42.1 p90 -122.94 168.06 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -101.28 126.38 34.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.546 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.59 -11.87 61.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.19 64.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -114.92 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -177.09 135.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.948 HD12 HD12 ' A' ' 102' ' ' LEU . 6.0 pt -108.23 36.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.2 m95 -137.36 154.76 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.013 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -108.51 141.29 40.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE3' ' A' ' 83' ' ' LYS . 32.1 m -66.23 -43.12 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' A' ' 82' ' ' VAL . 2.2 mtmt -97.71 -166.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.533 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -130.23 -146.44 5.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.0 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' CE ' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -83.88 -33.5 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.56 56.0 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -127.39 144.77 51.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.54 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -167.08 154.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -85.6 -92.45 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 163.78 12.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.0 mt -77.67 -52.54 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.592 HG23 ' HE2' ' A' ' 39' ' ' LYS . 1.8 m 50.33 178.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.779 ' HB3' HD21 ' A' ' 20' ' ' LEU . 1.5 pt20 -49.59 163.86 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.47 41.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -145.37 168.13 12.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.02 -163.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.46 -47.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 p -82.53 -48.86 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 16.5 p90 -107.87 -174.88 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.948 HD12 HD12 ' A' ' 79' ' ' ILE . 2.0 mt -165.58 113.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 6.2 mm -93.31 134.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.5 mt -133.25 163.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 64.5 ttt180 -139.79 137.11 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.43 165.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.3 m -67.91 -72.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -105.2 145.27 30.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -41.96 -50.81 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.61 -44.63 37.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.06 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -49.1 -55.19 12.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 5.0 mtm180 -48.06 -32.61 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -35.73 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.604 ' CD2' HD11 ' A' ' 14' ' ' LEU . 49.3 m95 -67.08 -57.05 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.486 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 ppp? -61.23 -20.77 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 -58.24 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.77 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -42.45 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 53.4 mt-10 -40.33 -44.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.5 mt -67.3 -51.44 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.43 -67.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -53.1 -33.83 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -90.27 20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER 61.7 128.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.73 -126.46 0.26 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.04 42.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.5 p -84.67 140.31 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.2 p -109.51 96.57 6.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -61.62 129.93 43.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 m 62.88 98.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.51 -58.24 1.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.42 84.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -139.16 166.97 23.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.7 -52.43 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -48.24 146.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 30' ' ' LEU . 76.5 t -87.79 -63.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 115' ' ' TRP . 16.6 ptm -160.06 157.33 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.87 126.77 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 10.9 t0 -155.74 170.51 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.423 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 82.3 m95 -85.33 110.8 19.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 115' ' ' TRP . 27.1 mt -116.93 145.25 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.735 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.5 mttt -95.34 136.72 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp -117.91 117.75 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.595 ' HB3' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -87.22 -169.97 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.55 47.41 89.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -121.24 -64.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 95' ' ' GLN . 31.7 mt -139.08 -82.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.11 -50.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -111.45 171.78 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.058 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CZ3' ' HB3' ' A' ' 17' ' ' ARG . 27.5 m95 -68.82 -174.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 m -127.29 -47.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 78.18 77.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 39' ' ' LYS . 39.1 mt -98.67 172.25 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.2 t-105 -91.24 96.68 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 14' ' ' LEU . 38.5 m -91.27 133.6 35.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 t -115.98 119.47 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.14 119.29 26.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.1 mttt -112.92 173.72 2.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.57 26.41 27.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.6 150.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tp -132.74 137.55 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HE1' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -118.15 157.66 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.95 128.46 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 77.8 m-85 -124.76 149.56 47.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.2 mtpt -51.57 -43.19 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.6 t -160.66 173.17 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.599 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.84 -45.87 9.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -79.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.37 -63.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.541 ' H ' HG23 ' A' ' 40' ' ' THR . . . 72.74 90.05 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 29.1 mt-30 -110.03 -3.06 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.3 t90 61.13 151.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -126.91 -55.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 -178.4 42.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.437 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.6 m -133.92 144.62 48.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 102' ' ' LEU . 56.1 t -108.15 128.66 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.7 mt -89.83 132.6 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.6 41.62 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.459 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 26.0 m120 -46.9 -38.35 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.96 58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 123' ' ' LEU . 19.2 m -97.01 157.94 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.06 162.54 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.8 137.02 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.602 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -111.96 -30.69 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 14.2 tt0 83.4 146.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -152.46 68.62 7.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.55 16.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.95 176.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.84 -83.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -132.19 87.84 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.31 80.25 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.53 -116.21 0.76 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.6 t80 -154.84 131.59 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.9 m -144.53 164.51 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.9 p90 -150.49 176.11 11.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.602 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -141.37 145.69 35.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -126.53 112.87 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 37.6 p90 -122.4 167.06 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.7 t60 -105.87 125.65 32.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.5 mp -55.81 -19.68 12.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 65.87 59.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -119.32 -76.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 147.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.909 HD12 HD12 ' A' ' 102' ' ' LEU . 3.5 pt -118.75 46.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.617 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.0 m95 -143.31 154.11 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.875 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -106.54 138.37 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.57 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.5 m -68.28 -41.31 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.5 mtmt -96.67 -166.61 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.43 -150.26 6.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.97 -24.54 12.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.3 mmtt -127.21 53.67 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.24 68.07 0.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -131.12 130.13 42.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.8 -50.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -170.24 160.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.77 -83.24 1.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.1 162.98 21.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -106.58 105.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 76.9 p -117.79 -166.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 6.4 mt-30 -40.26 159.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 161.0 39.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.552 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -143.96 170.33 8.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.04 -164.91 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.4 t -144.02 -46.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -84.12 -42.94 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 14.3 p90 -114.52 -178.47 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.909 HD12 HD12 ' A' ' 79' ' ' ILE . 1.8 mt -165.59 111.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.9 mm -87.8 137.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.1 mt -135.55 153.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -134.14 133.04 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.15 -176.23 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.92 -55.74 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.03 157.09 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 1.2 tm-20 -42.79 -45.22 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -64.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.09 -65.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -45.28 -53.05 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 mmm180 -48.98 -30.68 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -34.2 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 10' ' ' MET . 42.4 m95 -70.19 -59.93 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.9 ppp? -56.61 -23.82 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 116' ' ' MET . 14.5 m-20 -83.66 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.94 -38.4 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.73 -60.8 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' HA ' HD21 ' A' ' 123' ' ' LEU . 34.8 mt-10 -47.96 -39.34 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.7 mt -71.39 -51.96 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.68 -65.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -52.88 -34.16 53.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.6 mmtp -90.49 21.51 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 57.69 159.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 141.56 26.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.8 m -99.41 96.07 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -73.87 -59.22 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -150.97 148.32 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.963 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -78.31 145.72 35.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 -79.27 1.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -65.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -167.75 -64.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.5 -43.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.2 mp -55.16 152.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 30' ' ' LEU . 73.4 t -93.3 -61.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.573 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 17.4 ptm -161.73 158.85 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -143.56 124.47 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -155.7 173.4 16.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -84.93 112.08 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE3' ' A' ' 115' ' ' TRP . 79.8 mt -111.65 134.67 53.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 16' ' ' ILE . 21.9 mttt -85.6 117.44 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.3 mp -99.49 123.86 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' N ' ' CZ3' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -36.28 114.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.88 99.41 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -63.65 -11.2 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.761 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -69.45 -51.42 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.2 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -131.37 157.48 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CZ3' ' N ' ' A' ' 17' ' ' ARG . 75.0 m95 -58.44 155.62 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -102.41 -50.95 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tttt 74.28 100.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' HA ' ' A' ' 39' ' ' LYS . 12.9 mt -117.66 176.11 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.3 t-105 -92.39 95.57 9.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB2' HD12 ' A' ' 14' ' ' LEU . 33.4 m -89.86 132.09 35.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -114.62 120.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 1.2 tt -85.8 124.84 32.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.921 ' HB3' HG23 ' A' ' 34' ' ' VAL . 9.5 mttt -121.62 172.69 4.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.95 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.38 29.64 24.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -168.49 158.89 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -144.88 134.27 23.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD13 ' HE3' ' A' ' 31' ' ' LYS . 3.9 mp -115.82 153.46 31.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.09 122.31 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 64.1 m-85 -118.14 146.42 44.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HA ' HD22 ' A' ' 26' ' ' LEU . 5.8 mtpt -49.89 -45.66 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -155.61 168.81 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -85.87 -32.31 21.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -61.07 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -49.44 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.45 87.27 0.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 31.5 mt-30 -102.27 -1.66 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.589 ' CH2' ' HA3' ' A' ' 84' ' ' GLY . 27.4 t90 59.91 159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.81 -55.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.32 -179.36 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -135.37 145.24 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 79' ' ' ILE . 42.6 t -111.9 131.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -94.46 132.24 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -111.59 50.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -52.8 -40.29 63.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.56 59.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.719 ' CB ' HD21 ' A' ' 71' ' ' LEU . 13.5 m -98.17 152.88 18.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -123.14 166.46 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -118.93 133.82 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -110.9 -29.26 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.8 tt0 87.44 149.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -162.87 82.31 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -9.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 m 56.27 168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.27 90.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt 55.49 104.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 176.93 65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.08 -103.72 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 2.6 t80 -170.0 133.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ARG . 86.2 m -148.96 161.63 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.8 p90 -135.3 169.33 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -131.87 123.15 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 57' ' ' ILE . 3.2 tt -114.56 135.1 54.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 47.3 p90 -139.37 173.85 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.23 122.82 40.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.615 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.59 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.36 -16.03 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 58.42 73.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -124.96 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.6 t -179.23 126.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.873 ' CD1' HD12 ' A' ' 102' ' ' LEU . 3.6 pt -99.76 35.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.2 m95 -136.26 155.03 50.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -92.32 152.9 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.729 HG23 ' HE3' ' A' ' 83' ' ' LYS . 12.3 m -68.68 -32.49 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -127.6 -131.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.56 -147.9 4.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.88 43.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.77 71.56 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.28 138.82 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.296 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.63 -53.23 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 p -167.94 159.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.68 -83.87 1.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.6 164.12 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mt -106.08 108.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.2 p -122.24 -172.44 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.766 ' CB ' HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -41.88 161.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 159.96 40.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -142.17 168.62 13.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.97 179.9 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.9 t -127.61 -40.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 p -87.71 -54.02 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.9 p90 -102.86 179.78 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.873 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -164.58 120.18 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.38 136.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.3 mt -135.68 159.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -139.46 148.58 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.29 168.16 10.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -61.63 -53.23 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.97 172.45 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.35 -57.99 9.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -54.98 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.16 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -52.43 -30.53 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -34.69 29.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.573 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 38.3 m95 -67.56 -55.71 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.433 ' O ' HD13 ' A' ' 57' ' ' ILE . 24.2 ptm -60.68 -31.23 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.33 -53.74 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.49 -44.16 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.2 mt -55.72 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -36.62 -50.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 125' ' ' SER . 24.5 mt -64.78 -51.5 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -41.41 -66.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.3 pp -54.51 -33.11 59.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -84.79 9.54 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 p 64.82 120.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.71 163.53 10.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.1 t -45.62 -50.78 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.65 106.39 11.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -175.47 149.97 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -149.04 104.66 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.48 87.38 0.2 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t 179.74 154.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.05 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.06 -57.06 4.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -50.04 146.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' HB ' HD22 ' A' ' 30' ' ' LEU . 75.5 t -84.67 -63.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.9 ptm -161.29 156.95 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.23 122.49 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -155.66 156.62 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 25' ' ' LYS . 83.3 m95 -73.95 119.83 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 11.9 mt -126.59 135.19 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.9 mptt -90.47 117.33 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.564 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.4 mp -92.11 144.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 63.5 ttt180 -75.25 70.59 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . -40.1 -94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.54 HG23 HD13 ' A' ' 20' ' ' LEU . 5.4 t -176.15 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -56.65 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 172.11 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -11.67 60.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 10.5 m95 65.12 -172.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.798 HG22 ' HG ' ' A' ' 26' ' ' LEU . 87.6 m -139.68 117.88 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 13' ' ' TRP . 39.2 tttt -94.82 85.4 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.798 ' HG ' HG22 ' A' ' 24' ' ' THR . 10.0 mt -98.92 175.62 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.714 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 44.8 t-105 -99.19 97.13 8.26 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 14' ' ' LEU . 19.9 m -86.55 140.84 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.253 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' O ' HD12 ' A' ' 35' ' ' LEU . 29.2 t -122.88 120.29 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.42 123.57 31.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.2 mttt -118.62 172.72 3.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -74.98 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.94 27.16 19.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.83 158.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 29' ' ' VAL . 1.9 tp -144.16 135.03 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.6 mp -115.88 155.85 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.29 125.52 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 81.1 m-85 -124.16 139.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.1 mttt -44.26 -45.95 8.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 3.5 t -151.13 177.65 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.24 -35.74 14.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.28 -88.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -64.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.77 61.98 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.1 -7.57 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 28.1 t90 67.37 161.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.37 -54.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.44 173.87 46.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -128.46 141.79 51.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 102' ' ' LEU . 43.0 t -107.45 130.69 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.9 mt -94.25 131.57 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.47 41.8 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.86 -38.53 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.58 58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.648 ' CB ' HD21 ' A' ' 71' ' ' LEU . 27.9 m -96.38 160.02 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -127.5 169.32 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.11 134.6 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.65 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -113.05 -31.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.602 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 9.0 tt0 84.93 150.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -155.31 77.2 4.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 38.4 55.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.77 -66.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -136.01 -94.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' LYS . 37.4 m-20 36.44 58.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.71 -89.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.6 t80 -178.19 118.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.3 m -131.33 164.06 26.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.3 p90 -148.09 179.16 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -143.35 142.68 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 57' ' ' ILE . 5.0 tt -125.0 114.73 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 41.5 p90 -123.8 168.52 12.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.8 t60 -103.71 126.24 32.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.55 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.03 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.1 mp -57.9 -21.56 44.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.0 64.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.44 -79.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.8 HD12 HD12 ' A' ' 102' ' ' LEU . 5.8 pt -108.84 41.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.1 m95 -135.87 154.5 51.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -93.68 138.92 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.77 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.0 m -57.36 -28.7 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.77 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -129.4 -130.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -145.88 -146.3 4.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.03 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 37.08 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.13 76.06 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ALA . 13.3 mt-10 -140.59 135.33 31.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.89 -53.55 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.9 p -169.92 164.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -103.24 -93.65 2.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.84 171.13 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.03 102.31 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 p -109.88 -170.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -53.96 172.59 0.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 18.3 Cg_endo -74.97 157.59 42.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 174.59 3.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.01 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 69.1 m -142.49 -45.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 m -93.6 -52.94 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 1.4 p90 -94.87 165.06 12.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -156.28 116.91 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mm -90.22 137.95 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 8.0 mt -136.37 143.4 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -119.63 134.19 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -107.77 178.13 4.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -72.33 -68.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -118.66 171.81 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -52.92 -39.22 62.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -66.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.99 -64.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.23 -41.14 38.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.8 mmt180 -62.9 -35.97 81.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -35.13 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.673 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 37.1 m95 -63.92 -58.0 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.474 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.8 ppp? -62.13 -21.64 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 116' ' ' MET . 0.5 OUTLIER -83.26 -58.31 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.75 -53.22 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' GLU . 8.1 mt -43.42 -69.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -35.65 -51.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 125' ' ' SER . 22.9 mt -64.74 -51.11 64.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -41.08 -66.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -54.53 -32.66 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -84.19 9.53 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 121' ' ' LEU . 6.0 t -112.24 -30.03 7.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' SER . . . 54.46 166.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.76 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.3 m -52.28 124.72 13.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.72 127.72 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -122.07 99.39 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.788 . . . . 0.0 110.004 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -52.19 147.73 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.5 73.47 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -138.03 136.07 36.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.89 170.89 19.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.052 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.52 -53.79 9.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.22 158.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 30' ' ' LEU . 5.9 t -107.21 -63.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.675 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.9 154.71 41.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.842 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -146.07 118.41 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.86 172.67 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.475 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 83.9 m95 -87.87 128.45 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.061 HD11 ' CE2' ' A' ' 115' ' ' TRP . 47.9 mt -133.44 159.08 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 7.4 mttt -115.26 119.48 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.3 mp -88.29 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 33.6 ttp180 -108.78 157.66 18.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.09 50.05 4.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 p -127.46 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 19' ' ' THR . 14.9 mt -147.73 -160.64 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -44.03 69.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -111.73 170.62 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 17' ' ' ARG . 6.2 m0 -87.72 176.15 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.483 HG21 ' OE1' ' A' ' 95' ' ' GLN . 63.2 m -130.29 110.88 11.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.7 tttt -73.87 95.28 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.6 mt -100.97 169.62 8.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.842 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 68.0 t-105 -94.83 95.7 8.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 107.984 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.9 m -89.16 131.2 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.53 118.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -85.53 129.1 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.6 mttm -120.09 174.99 2.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.98 83.88 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.57 27.14 20.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.2 157.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' THR . 6.0 tp -137.4 140.52 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -120.11 155.04 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.89 122.6 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 46' ' ' TRP . 50.1 m-85 -119.32 148.54 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.9 mtpt -53.54 -51.95 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.1 t -144.51 174.62 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -87.9 -46.78 9.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -90.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -53.74 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 70.17 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.46 -7.0 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 31.4 t90 66.77 152.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 54.4 t -126.84 -55.44 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.26 178.22 43.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.1 m -133.33 149.02 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 110.381 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG21 HD13 ' A' ' 102' ' ' LEU . 37.6 t -113.58 131.66 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.8 mt -94.26 129.33 40.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 56.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 4.8 m-80 -59.51 -35.13 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.74 57.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.593 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.4 m -96.08 156.3 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.51 169.1 14.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -121.5 133.24 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -111.79 -29.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 16.7 tt0 86.77 154.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.8 mtt-85 -168.43 78.14 0.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -8.18 19.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t 39.32 90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt 49.39 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 77.48 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -146.91 73.39 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.42 -137.83 31.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 3.1 t80 -156.43 126.48 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.0 m -143.69 167.84 21.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -142.38 -179.69 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.11 120.6 13.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -106.39 110.08 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 51.8 p90 -115.64 161.78 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.3 t60 -110.16 119.31 47.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.433 1.754 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.4 mp -47.95 -26.38 1.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.43 58.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -117.89 -79.81 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.64 142.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 102' ' ' LEU . 4.3 pt -115.74 39.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.671 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.2 m95 -137.88 125.99 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -64.28 137.98 58.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.66 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.2 m -55.57 -32.08 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.66 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -128.32 -134.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -141.99 -146.87 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.95 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -102.25 45.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.36 62.95 0.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -123.98 141.83 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.03 -55.83 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.429 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -166.4 156.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -83.62 -81.19 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 165.67 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.979 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.1 mt -106.48 104.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 42.3 p -119.93 -166.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.483 ' OE1' HG21 ' A' ' 24' ' ' THR . 2.8 mt-30 -38.88 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.448 ' O ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.0 159.52 41.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.671 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -141.5 168.57 13.55 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.97 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.4 t -141.57 -46.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -50.65 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 26.1 p90 -105.73 -175.2 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -165.61 115.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.35 137.81 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.362 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.1 mt -134.47 161.22 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 4.7 ttt180 -135.67 141.32 44.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.29 170.28 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -73.57 -50.45 21.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.71 157.9 43.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -42.73 -60.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.46 -63.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' CYS . 18.5 m-20 -45.14 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.36 -48.04 6.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -56.5 -35.16 67.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.1 OUTLIER -71.76 -39.79 69.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 1.061 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.4 m95 -64.08 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.506 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 ptm -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -83.34 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.67 -41.29 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.87 -62.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.7 mt-10 -45.97 -41.05 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 124' ' ' LYS . 30.4 mt -70.32 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.24 -64.48 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -53.48 -32.92 52.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.6 mttt -89.7 21.28 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.18 -40.27 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 54.0 168.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 55.65 3.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m -110.48 117.16 32.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.1 t -130.3 -55.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -58.26 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.729 . . . . 0.0 109.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -88.04 138.36 31.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.9 72.49 1.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.33 126.63 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.28 -65.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.45 -93.28 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.93 166.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.648 ' CB ' HD22 ' A' ' 30' ' ' LEU . 42.2 t -110.24 -58.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 11.6 ptm -162.86 153.33 16.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.671 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.79 129.91 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 7.9 t0 -155.47 168.74 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.58 ' CE3' ' HE2' ' A' ' 25' ' ' LYS . 85.5 m95 -86.92 106.29 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 115' ' ' TRP . 33.0 mt -108.98 148.57 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' HD12 ' A' ' 16' ' ' ILE . 10.5 mttt -95.82 136.42 36.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -114.23 138.36 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 10.9 ttp-105 -39.16 139.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.41 123.85 6.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.518 HG23 HD13 ' A' ' 20' ' ' LEU . 9.9 t -67.82 -21.53 65.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.598 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.02 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.95 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.51 144.06 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -77.32 152.86 34.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.569 HG22 ' HG ' ' A' ' 26' ' ' LEU . 57.1 m -96.96 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HE2' ' CE3' ' A' ' 13' ' ' TRP . 63.0 tttt -71.14 91.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 39' ' ' LYS . 49.3 mt -102.64 171.1 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.671 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.4 t-105 -99.41 104.81 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.2 m -96.56 131.32 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 35' ' ' LEU . 89.1 t -112.28 129.17 68.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD22 ' CB ' ' A' ' 9' ' ' VAL . 3.0 tt -94.0 124.52 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HB3' HG23 ' A' ' 34' ' ' VAL . 18.3 mttt -117.27 172.24 4.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 79.52 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.829 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 95.5 28.75 9.35 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.92 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -168.28 162.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.3 tp -145.03 139.16 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD22 ' OH ' ' A' ' 38' ' ' TYR . 4.4 mp -121.7 157.2 31.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' OH ' HD22 ' A' ' 36' ' ' LEU . 51.5 m-85 -129.04 144.58 51.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.8 mttt -49.8 -41.86 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -158.12 173.55 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.81 -46.27 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.98 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.35 84.33 0.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -91.4 -7.44 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 29.4 t90 67.37 148.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 107.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.4 t -123.02 -57.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.82 -178.69 40.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -136.28 138.61 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 102' ' ' LEU . 41.7 t -107.31 131.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 mt -94.65 132.45 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -113.09 43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.68 -38.84 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.17 60.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.04 164.6 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -132.64 169.62 16.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.93 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.59 136.02 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -116.69 -33.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.559 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 16.3 tt0 88.57 152.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' NH2' HD11 ' A' ' 103' ' ' ILE . 2.2 mtm-85 -163.01 70.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 54.04 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.67 -52.44 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -167.79 120.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.08 67.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.49 -98.7 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 15.6 t80 -175.64 123.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 75.1 m -139.03 163.78 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.2 p90 -144.34 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -134.97 132.72 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 57' ' ' ILE . 5.5 tt -120.97 110.03 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -119.21 163.73 16.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.4 t60 -104.35 122.03 45.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mp -51.16 -22.03 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 65.44 66.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -127.26 -77.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.68 151.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -125.11 35.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.642 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.0 m95 -134.17 151.87 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -98.01 144.32 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.19 -41.25 91.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -114.31 -161.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.556 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -125.9 -146.57 6.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -38.1 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -108.52 47.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.35 53.54 3.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -121.49 126.74 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.98 -62.59 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.9 t -145.22 157.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.51 -57.8 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.79 172.32 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.496 ' C ' HG23 ' A' ' 94' ' ' THR . 28.2 mt -110.02 138.16 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.496 HG23 ' C ' ' A' ' 93' ' ' ILE . 32.2 p -156.4 -169.73 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -40.08 159.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.5 41.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.642 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -140.58 165.02 32.84 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -141.82 -48.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 p -82.18 -47.21 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 15.0 p90 -109.1 -176.08 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -165.45 124.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' NH2' ' A' ' 60' ' ' ARG . 2.3 mm -103.18 135.63 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.7 mt -131.79 162.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 104' ' ' ILE . 5.3 ttp180 -134.18 139.78 46.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 105' ' ' ARG . . . -110.78 171.55 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -79.97 -50.16 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 151.0 49.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 9.3 tt0 -40.65 -55.58 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.83 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -44.22 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.44 -45.97 52.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -54.32 -38.63 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -28.96 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.515 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 51.5 m95 -75.16 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.511 ' HB2' HG21 ' A' ' 57' ' ' ILE . 22.7 ptm -52.34 -25.75 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -81.99 -60.63 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.06 -40.08 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -56.08 -66.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -40.69 -43.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -69.22 -53.12 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -39.36 -66.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -52.59 -35.27 53.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 121' ' ' LEU . 7.8 mmtt -90.34 21.9 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -42.54 -27.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 110.051 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 86.91 160.08 34.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t -138.78 -53.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.7 m -57.22 111.79 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -97.98 -58.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 64.35 131.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.2 -84.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.02 178.65 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.76 -67.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.78 -55.22 0.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -51.47 148.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 30' ' ' LEU . 55.1 t -88.97 -62.12 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.555 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.1 ptm -162.25 157.33 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.7 123.53 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.24 161.84 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -74.7 107.68 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 ' CE3' ' A' ' 115' ' ' TRP . 75.8 mt -105.49 131.72 52.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 19.2 mttt -81.19 122.13 27.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.6 mp -102.46 129.34 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -35.1 134.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.07 15.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -110.81 -44.11 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -89.44 -125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . 4.7 mmpt? -39.31 -59.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -175.91 -167.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.551 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 42.0 m95 -48.38 169.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.522 HG22 ' HG ' ' A' ' 26' ' ' LEU . 23.1 m -112.57 -61.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 24' ' ' THR . 2.5 tttt 73.4 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 39' ' ' LYS . 4.0 mt -107.68 -179.56 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 t-105 -91.41 95.38 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 108.021 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 61.1 m -88.33 128.44 35.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 120.2 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 120.8 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.1 mttt -115.88 173.08 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 87.71 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.07 27.81 27.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.04 158.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.88 133.34 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.8 mp -115.37 158.42 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 128.12 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -124.71 140.51 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.9 mttt -47.09 -45.57 22.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -151.85 174.54 13.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.25 -30.66 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -100.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -43.27 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.88 74.12 1.25 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.88 -6.46 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 25.8 t90 67.77 155.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.71 -56.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.67 -176.61 42.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -137.28 136.55 38.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.764 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.458 HG21 HD13 ' A' ' 102' ' ' LEU . 45.1 t -102.63 129.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 81' ' ' ALA . 5.0 mt -93.2 124.99 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.19 39.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.535 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 25.5 m-80 -44.2 -38.47 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.85 58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 123' ' ' LEU . 29.7 m -97.02 156.14 16.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.2 173.94 7.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.541 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.26 134.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' CE ' ' A' ' 70' ' ' LYS . 1.4 pt -112.91 -32.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 20.3 tt0 88.2 157.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' CYS . 1.1 mtp85 -163.14 68.25 1.79 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -11.45 21.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m 53.47 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -139.08 105.48 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -174.12 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.62 -102.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 4.5 t80 -172.25 128.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ARG . 5.6 m -141.25 166.73 23.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.8 p90 -148.18 177.84 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.596 ' CE ' HD11 ' A' ' 58' ' ' ILE . 4.3 ttpt -133.47 153.88 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -141.27 110.64 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -119.19 173.88 6.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.4 t60 -116.9 121.92 32.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.0 mp -51.06 -23.24 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 65.56 56.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -115.54 -80.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.45 147.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -118.0 32.95 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -133.49 150.43 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -95.81 142.37 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.75 -40.79 89.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.16 -161.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -126.51 -145.75 6.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.03 -47.31 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.451 1.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -94.5 32.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.07 51.25 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.39 132.51 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.19 -59.9 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.74 155.06 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.17 -71.63 1.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.95 176.57 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.01 114.69 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' GLN . 75.9 p -138.94 -174.83 3.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.6 mp0 -38.57 155.23 0.13 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.949 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.01 -20.25 17.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.949 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 50.65 179.3 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -141.75 -45.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.92 -54.99 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 11.7 p90 -96.9 176.1 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.908 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -159.84 109.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.9 mm -84.43 133.09 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 14' ' ' LEU . 5.8 mt -132.71 161.98 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 58.6 ttt85 -139.32 132.46 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.527 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -100.92 162.28 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -55.37 35.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -135.09 172.57 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -53.5 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -41.17 -64.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.527 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -48.75 -51.94 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -52.77 -33.31 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -37.02 29.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.659 ' CE3' HD11 ' A' ' 14' ' ' LEU . 43.8 m95 -65.25 -58.13 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.957 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.405 ' O ' HD13 ' A' ' 57' ' ' ILE . 20.7 ptm -56.47 -30.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.91 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.24 -32.1 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' ALA . 12.0 mt -67.07 -69.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 123' ' ' LEU . 35.5 mt-10 -38.28 -37.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.5 mt -74.09 -51.98 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.1 -63.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -54.23 -35.56 62.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.4 mmtt -85.01 10.59 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -115.21 -31.37 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.51 -143.08 8.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.49 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -99.6 157.36 16.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.2 m -67.03 114.13 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.54 138.61 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.97 129.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.14 66.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -55.29 167.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.21 162.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.44 7.57 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -47.15 146.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 30' ' ' LEU . 66.4 t -85.75 -62.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.6 ptm -162.2 157.18 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.61 127.8 24.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -155.47 170.18 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -89.59 106.95 18.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 115' ' ' TRP . 23.3 mt -109.93 145.58 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.6 mttt -97.1 131.7 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -103.92 147.77 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 20.5 ttt85 -39.8 144.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.05 125.84 4.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.97 -17.86 11.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.932 HD23 ' HG2' ' A' ' 95' ' ' GLN . 3.3 mm? -79.19 -99.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -89.93 -54.72 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -163.65 179.25 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.427 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 20.5 m95 -62.15 153.19 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -111.24 136.1 50.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -100.86 93.27 5.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.0 mt -98.55 171.58 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.603 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.3 t-105 -96.72 95.9 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 29.0 m -88.39 130.24 35.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.85 118.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.22 125.86 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.6 mttm -119.37 173.82 3.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -75.0 87.19 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.887 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.09 26.97 29.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.908 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.46 156.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -120.13 156.07 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.53 126.0 38.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -122.08 146.4 47.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.7 mttt -55.38 -50.12 70.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -145.93 166.53 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -26.31 38.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -77.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.5 t-20 -82.09 53.79 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.82 91.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 8.6 mt-30 -89.58 -3.75 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.744 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 21.6 t90 69.36 147.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.01 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.7 t -124.44 -46.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.5 -178.65 48.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -138.51 137.94 37.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 79' ' ' ILE . 35.9 t -104.89 130.97 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.7 mt -95.01 129.75 41.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.54 38.99 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.84 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.53 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 m -99.1 155.89 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG2' ' CE1' ' A' ' 72' ' ' PHE . 7.4 pt-20 -122.44 176.37 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.75 136.41 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.83 -30.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 1.2 tt0 85.65 148.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -162.61 75.94 2.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' PRO . 8.4 m 51.77 176.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -42.55 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -167.59 130.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' PHE . 1.1 m-20 162.06 71.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.14 -93.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 113' ' ' ARG . 10.0 t80 -172.1 116.93 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.2 m -129.7 158.39 39.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 1.8 p90 -136.96 -179.84 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 123.87 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -112.93 115.46 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.609 ' CE1' ' HG2' ' A' ' 56' ' ' GLU . 4.6 p90 -120.89 168.67 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.584 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.3 t60 -106.64 121.87 43.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.92 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.4 mp -55.93 -21.29 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.95 53.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -115.76 -79.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -178.52 156.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.98 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -125.96 41.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.3 m95 -137.65 139.88 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -84.16 137.45 33.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.79 -40.32 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.531 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.32 -159.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.85 -145.71 5.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -100.0 48.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.83 92.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -157.98 142.63 16.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -51.75 -56.92 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 89' ' ' ALA . 2.4 t -152.85 164.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.61 -50.88 1.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.78 166.98 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.2 mt -105.67 127.82 60.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 46.2 p -143.56 -166.21 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.932 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -41.78 163.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.3 40.32 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.507 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.97 164.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -143.16 -49.09 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.03 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 p90 -110.9 -176.72 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.98 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -163.55 123.09 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -100.98 137.43 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -133.63 163.5 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 66.8 ttt180 -138.56 137.0 36.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.23 165.41 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -64.08 -59.35 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 m -121.96 156.74 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.7 tt0 -43.99 -54.18 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -68.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -42.27 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.08 -50.17 9.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.5 mtm180 -57.26 -35.12 69.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.77 -31.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD2' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -71.4 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.527 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 4.3 ppp? -59.4 -22.66 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.9 m-20 -85.75 -57.21 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.9 -43.66 28.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.513 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -41.09 -40.25 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 125' ' ' SER . 26.6 mt -72.05 -53.33 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.07 -63.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -55.93 -34.2 65.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 125' ' ' SER . 13.1 mmtt -82.48 6.59 16.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER 83.4 -50.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.93 161.17 37.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 61.24 5.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.3 p -143.69 147.03 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 m -94.46 147.52 23.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 74.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -86.36 137.23 32.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 -62.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.63 -54.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.39 141.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.02 -59.0 8.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -52.58 148.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.678 ' CG1' HD13 ' A' ' 30' ' ' LEU . 74.7 t -87.9 -62.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.53 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.2 ptm -161.17 156.14 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.4 126.44 19.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -155.88 167.29 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 87.4 m95 -84.78 105.82 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 28' ' ' CYS . 73.5 mt -102.39 157.83 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.1 mttt -108.5 133.23 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -112.3 148.58 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -40.37 135.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . -102.62 81.72 0.4 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.543 HG21 ' HG2' ' A' ' 96' ' ' PRO . 80.7 p -38.9 -30.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.53 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -78.12 -73.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.7 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.05 141.37 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.542 ' CZ2' ' HD2' ' A' ' 17' ' ' ARG . 25.1 m95 -75.63 147.46 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -99.3 115.02 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 4.1 tttt -82.98 88.32 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 39' ' ' LYS . 71.2 mt -91.6 169.35 10.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' ' CG ' ' A' ' 41' ' ' GLN . 72.2 t-105 -98.89 96.99 8.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 108.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' HB2' HD12 ' A' ' 14' ' ' LEU . 15.1 m -92.6 132.62 36.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.86 119.55 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.74 120.85 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.888 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.5 mttm -115.68 173.1 3.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.02 88.42 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.896 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.56 26.57 32.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.61 156.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.17 134.73 28.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.4 mp -115.58 154.87 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.34 124.19 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -119.22 147.32 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.2 mtpt -54.86 -36.69 65.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -162.55 173.59 13.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.587 ' CG ' ' CD2' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -87.4 -46.69 9.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' GLN . 2.2 mmtt -44.47 -93.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.87 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 70.95 1.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.99 -8.62 59.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 23.2 t90 67.79 146.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' CG ' ' A' ' 39' ' ' LYS . 69.1 t -119.65 -52.17 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.16 -179.67 48.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -131.44 150.09 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.426 HG21 HD13 ' A' ' 102' ' ' LEU . 44.2 t -114.51 132.13 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.6 mt -92.76 131.65 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -114.8 40.71 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 7.4 m120 -44.14 -43.21 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.47 60.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.664 ' CB ' HD21 ' A' ' 71' ' ' LEU . 6.9 m -96.23 161.54 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -124.47 175.45 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.592 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.6 pt -115.19 -34.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER 87.74 149.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 8.0 mtp180 -151.33 72.78 8.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.2 Cg_endo -74.95 -8.66 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m 50.91 179.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.979 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 99.49 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.98 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -174.91 59.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.7 -114.78 7.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 17.2 t80 -170.27 132.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.1 m -148.42 172.03 15.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.73 179.03 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.677 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -142.68 143.25 32.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 55' ' ' CYS . 2.9 tt -124.69 112.27 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.7 p90 -119.09 163.84 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.5 t60 -106.99 123.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 6.6 mp -55.6 -20.69 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 tt0 83.13 28.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -91.71 -171.57 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -100.5 127.44 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.023 HD12 HD12 ' A' ' 102' ' ' LEU . 3.2 pt -92.57 41.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.7 m95 -138.64 149.96 45.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.24 138.85 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.537 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.9 m -68.02 -42.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.7 mtmt -97.14 -164.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -139.65 -148.12 5.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -25.94 11.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.7 mmtt -130.28 58.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.94 70.22 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.4 mt-10 -135.38 129.15 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.37 -57.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -165.07 156.96 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.476 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -87.46 -72.27 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -129.13 150.07 50.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 94' ' ' THR . 8.2 mt -81.96 -46.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.476 HG22 ' HE3' ' A' ' 39' ' ' LYS . 25.9 p 40.49 -161.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.09 164.97 0.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.543 ' HG2' HG21 ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 159.66 41.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.31 163.67 35.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.416 1.745 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 17.5 t -142.79 -46.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -53.21 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 23.7 p90 -103.01 -178.19 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.023 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -163.64 115.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 70' ' ' LYS . 17.4 mm -88.56 137.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt -136.3 158.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -137.94 138.48 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -108.73 173.29 6.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.92 -60.48 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.93 153.08 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.592 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.6 tt0 -42.51 -37.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -66.4 -59.4 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' SER . 2.0 m-20 -40.73 -60.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.434 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -53.5 -51.38 48.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -49.54 -40.15 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -34.19 67.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.53 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 42.9 m95 -69.11 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.014 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 26.3 ptm -49.76 -31.76 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.52 -54.66 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.34 -47.94 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -51.35 -67.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -35.92 -53.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 125' ' ' SER . 40.0 mt -59.17 -53.24 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -39.46 -70.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 55' ' ' CYS . 2.3 pp -53.25 -32.16 47.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.7 mmtt -90.31 20.97 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 121' ' ' LEU . 10.6 p -43.8 -39.91 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 117.63 164.99 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 61.53 5.67 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.36 149.48 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -174.3 106.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -69.06 -58.13 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.942 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.58 142.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.67 89.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -139.01 119.74 14.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 -65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.62 -93.6 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -55.69 167.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.767 ' CG1' HD13 ' A' ' 30' ' ' LEU . 47.2 t -114.93 -58.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.535 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 7.3 ptm -161.74 147.75 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.86 130.52 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 5.8 t70 -155.79 171.44 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.8 m95 -87.51 106.8 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 28' ' ' CYS . 25.3 mt -108.2 151.42 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -104.3 131.36 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -102.25 143.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 4.5 tpt180 -38.8 138.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' ARG . . . -101.01 150.42 18.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.4 p -138.4 -42.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.745 HD23 ' HG2' ' A' ' 95' ' ' GLN . 3.9 mm? -65.18 -78.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -113.62 -50.51 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -159.5 -169.87 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 13.1 m95 -70.22 165.92 21.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 m -129.76 131.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.4 ttmt -91.73 100.86 13.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt -104.84 170.51 7.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.2 t-105 -97.71 98.05 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB2' HD12 ' A' ' 14' ' ' LEU . 10.4 m -93.94 126.32 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 39.0 t -106.09 125.56 61.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -90.94 117.4 29.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' HG23 ' A' ' 34' ' ' VAL . 15.6 mttt -112.95 171.18 4.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 86.53 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.06 26.2 26.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.38 154.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' VAL . 3.2 tp -138.39 134.88 34.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.566 HD13 ' HE3' ' A' ' 31' ' ' LYS . 1.1 mp -116.23 157.23 25.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.65 130.79 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.9 m-85 -128.91 138.6 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 mttt -45.62 -47.21 14.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.3 t -147.91 175.6 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -93.0 -30.56 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.49 -92.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -57.3 -57.81 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.21 76.25 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -82.24 -8.24 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.2 t90 66.53 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 108.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.73 -58.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 178.72 43.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.11 138.64 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 102' ' ' LEU . 46.3 t -105.78 129.92 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -90.32 130.65 36.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 45.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -44.21 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.08 57.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 24.4 m -95.57 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.347 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -128.75 168.2 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.654 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 138.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.705 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -115.38 -33.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 14.5 tt0 85.72 147.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.9 mmm180 -151.62 67.8 7.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.05 20.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 52.6 -173.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 92.14 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.88 105.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 176.42 62.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.25 -104.58 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.616 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.5 t80 -176.78 122.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.8 m -135.46 168.89 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 12.4 p90 -154.6 179.07 9.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.705 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -143.4 145.38 32.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 57' ' ' ILE . 4.0 tt -125.97 112.85 16.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.498 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.9 p90 -124.19 159.92 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -89.37 128.18 52.16 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.76 5.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.5 4.74 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 42.36 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -125.95 -79.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -178.31 125.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.825 HD12 HD12 ' A' ' 102' ' ' LEU . 3.3 pt -103.33 38.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -138.35 150.22 46.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.933 ' HB1' ' HE3' ' A' ' 83' ' ' LYS . . . -100.12 145.2 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 83' ' ' LYS . 13.1 m -67.77 -41.61 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.933 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -107.44 -167.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -128.67 -145.31 5.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -39.31 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 85' ' ' PRO . 1.6 mptt -106.6 46.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 37.29 58.8 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -120.2 137.41 54.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.61 -58.56 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -164.34 151.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -79.34 -128.16 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.02 167.72 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.48 106.25 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.671 HG23 ' N ' ' A' ' 95' ' ' GLN . 5.4 t -122.56 -153.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.745 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.5 mt-30 -41.47 161.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 160.63 40.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 164.87 35.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.99 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.2 t -139.61 -53.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.2 m -83.37 -49.71 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 7.0 p90 -102.62 179.48 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.825 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -162.93 111.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.448 HD13 ' HB3' ' A' ' 70' ' ' LYS . 2.9 mm -89.46 135.63 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt -135.44 163.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 104' ' ' ILE . 4.6 ttt180 -137.78 137.96 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.426 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -109.05 179.87 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -77.68 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -118.93 163.09 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -43.13 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -63.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.18 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -49.07 -46.72 33.29 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 16.7 mmt180 -55.12 -39.01 68.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -40.52 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.535 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 45.9 m95 -60.85 -65.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.494 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 2.2 ppp? -54.2 -22.37 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.2 m-20 -81.69 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.37 -51.67 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -40.85 -65.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -44.73 -41.35 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 118' ' ' ALA . 21.1 mt -67.56 -52.58 37.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.59 -66.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -54.31 -33.49 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 121' ' ' LEU . 5.9 mmtt -87.0 14.01 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 10.3 p 62.2 117.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.29 -170.22 43.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.13 12.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.0 t -147.03 -61.78 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.3 166.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -166.54 116.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.68 -58.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.58 58.0 4.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 59.79 89.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.71 178.29 7.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.93 -63.35 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -51.7 148.77 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 30' ' ' LEU . 76.4 t -88.79 -63.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.5 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.1 ptm -160.55 155.49 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -137.65 125.76 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -155.88 161.78 40.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.6 m95 -81.4 111.1 17.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 104' ' ' ILE . 98.4 mt -107.4 146.46 31.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.8 mttt -96.88 130.68 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -108.83 150.47 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 132.12 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.61 2.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -62.6 -34.16 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.945 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -72.97 -67.14 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.37 -49.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -122.34 146.86 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 18.9 m95 -53.47 143.09 20.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m -99.67 130.12 45.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.9 ttmt -97.11 86.37 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.9 mt -89.32 171.69 9.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 70.8 t-105 -96.77 97.72 9.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 13.7 m -91.98 131.47 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.84 119.36 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.75 119.45 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 34' ' ' VAL . 7.9 mttt -113.82 173.33 2.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 86.37 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.9 27.63 28.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.63 152.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' THR . 3.7 tp -134.93 137.95 43.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.2 mp -119.32 149.78 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.78 122.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 90.0 m-85 -119.37 149.59 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.0 mtpt -52.03 -42.7 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -157.8 175.02 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.37 -33.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.66 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.62 94.12 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.9 mt-30 -107.45 -5.04 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 62.87 158.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.07 -56.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 -179.27 41.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.0 m -139.46 146.42 40.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 102' ' ' LEU . 61.6 t -114.53 133.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.01 138.04 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -120.8 58.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -80.18 -22.1 42.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.65 46.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.976 ' HB3' HD11 ' A' ' 71' ' ' LEU . 65.3 m -94.24 136.04 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.919 ' O ' HD13 ' A' ' 71' ' ' LEU . 37.1 mt-10 -118.99 149.8 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -108.68 135.82 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 70' ' ' LYS . 1.8 pt -113.86 -29.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.5 tt0 86.67 159.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 7.1 mtp180 -171.71 85.68 0.47 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.25 19.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m 52.29 175.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.26 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 87.0 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -154.13 73.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.58 -108.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 5.3 t80 -151.13 130.66 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ARG . 14.6 m -147.79 163.16 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -135.92 167.66 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -128.35 117.09 20.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -108.18 116.71 32.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 71' ' ' LEU . 21.7 p90 -118.67 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.5 t-160 -126.78 116.95 22.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.97 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.5 mp -46.31 -25.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 74' ' ' PRO . 20.4 mt-10 64.48 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -116.46 -85.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.4 t 179.23 123.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.046 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -90.89 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -143.74 146.21 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.78 143.47 31.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.591 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.5 m -58.39 -33.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -127.73 -134.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.38 -145.68 4.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.43 74.87 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -141.64 127.5 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.2 -62.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.8 t -147.04 163.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.82 -56.04 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.32 165.37 27.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mt -109.78 111.65 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.466 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 69.6 p -127.78 -170.39 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.945 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -40.03 160.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.51 41.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -141.23 166.66 20.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.02 -179.35 4.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -128.33 -40.65 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -52.87 4.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 12.5 p90 -102.85 -179.21 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.37 109.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.1 mm -90.62 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.629 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -134.94 154.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 33.4 ttm180 -130.83 134.41 46.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.44 167.48 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -66.11 -62.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -118.37 144.78 45.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 14.9 tt0 -37.98 -48.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.2 -55.85 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.066 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.14 -57.57 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.1 -48.78 61.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.7 mtm180 -55.07 -33.58 62.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -33.64 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 14' ' ' LEU . 33.8 m95 -67.83 -60.2 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.025 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 57' ' ' ILE . 3.3 ppp? -57.01 -23.43 46.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 3.9 m-20 -85.0 -56.5 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.36 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.0 mt -57.08 -69.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -37.23 -49.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -63.95 -50.57 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.8 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -53.17 -29.72 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.8 OUTLIER -89.88 21.06 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' ALA . 12.4 t -45.68 -25.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 91.18 157.6 33.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 62.84 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.14 109.92 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.7 p -67.04 155.76 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 120.78 42.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -158.81 113.38 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.48 74.87 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -104.43 129.01 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 -76.95 0.3 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -53.41 147.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 30' ' ' LEU . 79.8 t -84.49 -63.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.56 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -162.84 156.76 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.727 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.31 127.26 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.01 169.89 23.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -85.51 112.63 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD13 HG21 ' A' ' 104' ' ' ILE . 82.3 mt -111.89 160.53 17.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' C ' HD12 ' A' ' 16' ' ' ILE . 14.5 mttt -120.46 123.62 43.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.2 mp -94.13 144.06 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 21.7 ttt-85 -79.32 161.3 26.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.23 83.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.478 ' C ' HD22 ' A' ' 20' ' ' LEU . 6.6 p -145.4 98.44 3.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.841 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.0 OUTLIER 39.17 -132.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -34.06 -51.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 23' ' ' TRP . 40.0 t 175.76 -168.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 17' ' ' ARG . 58.7 m95 -40.2 140.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -124.67 122.12 36.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.74 93.03 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 39' ' ' LYS . 67.8 mt -100.15 169.34 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.727 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.8 t-105 -99.77 96.63 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' A' ' 14' ' ' LEU . 23.3 m -92.61 125.35 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.05 119.65 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD12 ' CE3' ' A' ' 115' ' ' TRP . 1.1 tt -86.4 122.85 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.873 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.8 mttm -117.29 171.53 4.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.886 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.29 24.91 30.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.18 157.18 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tp -141.55 133.3 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.9 mp -114.36 160.47 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.43 130.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -124.52 142.63 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.1 mtpt -52.26 -42.29 63.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.2 t -155.33 166.35 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -46.46 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -94.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.75 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' H ' HG23 ' A' ' 40' ' ' THR . . . 74.56 75.92 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.123 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.75 -5.15 59.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.3 t90 67.98 146.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.008 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 39' ' ' LYS . 22.7 t -118.45 -55.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.89 -175.68 41.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 141.36 46.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 102' ' ' LEU . 49.0 t -103.3 128.75 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.2 mt -90.5 128.01 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -113.21 51.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.552 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 2.2 m-80 -58.98 -33.78 71.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.65 58.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' HD13 ' A' ' 123' ' ' LEU . 20.6 m -97.44 156.09 16.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.22 170.25 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.01 136.44 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.71 -31.47 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 28.0 tt0 87.49 154.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.245 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.9 mtt-85 -168.06 81.02 0.82 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.07 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.54 172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' LYS . 24.8 ttpt -62.89 100.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 40.12 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.64 69.1 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.34 -103.79 0.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.3 t80 -172.61 131.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.6 m -147.45 170.13 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 9.9 p90 -149.71 179.4 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 103' ' ' ILE . 8.7 ttpt -134.37 154.63 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 57' ' ' ILE . 5.1 tt -139.37 109.17 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -122.1 159.63 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.4 t60 -100.33 122.3 50.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.83 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.586 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.2 mp -50.37 -33.27 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.08 52.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -112.1 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -175.21 155.74 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.036 HD12 HD12 ' A' ' 102' ' ' LEU . 2.1 pt -125.84 34.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -136.79 150.57 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.026 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.851 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -105.1 138.37 41.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.587 HG23 ' HE2' ' A' ' 83' ' ' LYS . 34.3 m -64.81 -43.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -96.08 -165.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -136.9 -147.87 5.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -118.08 53.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . . . 37.75 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -164.3 131.27 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.81 -53.91 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -168.21 159.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.39 -104.02 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -90.24 164.19 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.6 mt -101.82 113.33 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 76.1 p -128.03 -161.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.841 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -40.09 158.73 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.997 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -21.95 15.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.997 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 50.94 176.37 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.01 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.72 -44.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.96 -53.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 2.1 p90 -90.56 166.62 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.036 HD12 HD12 ' A' ' 79' ' ' ILE . 1.6 mt -155.12 109.88 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.9 mm -85.43 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.763 HG21 HD13 ' A' ' 14' ' ' LEU . 5.4 mt -136.49 145.6 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -123.71 137.75 54.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' ' OD2' ' A' ' 111' ' ' ASP . . . -104.83 -176.17 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -48.95 8.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.29 157.85 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -39.16 -57.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.67 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.562 ' OD2' ' HB1' ' A' ' 106' ' ' ALA . 35.3 t70 -40.3 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.33 -55.01 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.48 -30.38 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -34.02 37.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.585 ' CE3' HD12 ' A' ' 30' ' ' LEU . 47.0 m95 -70.21 -65.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.434 ' HB2' HG21 ' A' ' 57' ' ' ILE . 23.9 ptm -50.32 -27.46 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -82.3 -58.69 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.91 -35.61 6.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.56 -67.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 39.0 mt-10 -39.6 -38.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' SER . 23.7 mt -75.12 -51.34 13.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.47 -60.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 120' ' ' GLU . 1.4 pp -58.61 -33.97 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 mttt -84.75 9.93 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -106.2 -21.35 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.94 131.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 64.33 6.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.1 t -123.79 -47.87 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 m 54.81 103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -140.68 130.82 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -69.03 165.1 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.14 -59.71 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -52.65 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.95 139.49 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.85 -46.02 90.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -47.5 147.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.98 -63.74 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.676 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -154.54 162.53 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.99 121.91 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.11 171.15 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.53 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.7 m95 -87.31 117.18 25.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 107.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 115' ' ' TRP . 82.3 mt -118.12 147.56 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -102.03 125.53 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.7 mp -99.1 148.85 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -38.03 144.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.01 151.55 18.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -144.43 -48.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.566 HD23 ' HG2' ' A' ' 95' ' ' GLN . 4.2 mm? -62.24 -87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -104.13 -39.35 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 23' ' ' TRP . 36.5 t -169.42 -158.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.413 ' N ' ' OG ' ' A' ' 22' ' ' SER . 16.2 m95 -77.8 162.3 27.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m -123.85 132.74 53.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.1 ttmt -100.13 83.59 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 39' ' ' LYS . 47.3 mt -86.79 172.05 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.757 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.6 t-105 -96.3 99.27 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' HD12 ' A' ' 14' ' ' LEU . 35.4 m -91.81 136.75 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.11 119.91 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -85.89 125.64 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 34' ' ' VAL . 4.7 mttt -118.62 174.75 2.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.96 84.28 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.894 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.94 27.53 23.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.86 155.06 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tp -138.25 139.15 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 2.5 mp -120.09 156.46 30.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.09 125.72 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.78 150.6 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.651 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.4 mtpt -54.99 -39.99 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -161.01 173.01 15.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.65 -27.72 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -72.03 -92.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -47.24 -55.97 7.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.587 ' H ' HG23 ' A' ' 40' ' ' THR . . . 67.6 90.82 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.1 mt-30 -109.13 -3.94 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.8 t90 61.25 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.16 -56.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.6 173.35 46.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.9 m -123.75 148.22 46.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -110.75 129.78 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.4 mt -90.8 132.3 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -117.78 45.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -47.04 -40.67 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.0 60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 123' ' ' LEU . 6.9 m -96.71 157.92 15.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.86 168.22 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.25 133.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.34 -28.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 12.4 tt0 82.33 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 71.95 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m 53.69 -177.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -76.29 90.41 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.38 104.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 177.53 65.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.63 -107.55 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.9 t80 -173.31 121.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.77 169.2 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.4 p90 -150.53 178.89 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 130.23 23.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.532 HD12 HD12 ' A' ' 57' ' ' ILE . 4.5 tt -115.93 109.35 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -116.02 166.41 12.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.9 t-80 -111.35 124.02 33.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.6 tt0 81.83 33.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 36.8 mm-40 -93.17 -172.74 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m -103.51 119.71 39.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.035 HD12 HD12 ' A' ' 102' ' ' LEU . 3.7 pt -85.67 49.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.603 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.1 m95 -147.56 146.83 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.747 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -99.39 135.34 40.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.2 m -64.52 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -99.6 -164.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.39 -150.68 6.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -20.77 16.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 87' ' ' GLY . 9.0 mmtp -131.86 57.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 30.24 67.52 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.563 1.164 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -130.94 129.66 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.99 -51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -169.23 158.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -84.3 -83.18 0.98 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.07 162.97 22.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 mt -105.97 111.88 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 59.4 p -125.49 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.566 ' HG2' HD23 ' A' ' 20' ' ' LEU . 12.5 mp0 -38.91 157.18 0.12 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.52 38.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.603 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -146.08 168.4 11.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.96 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.539 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.6 t -134.29 -44.58 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -54.4 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.8 p90 -101.94 -176.13 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.035 HD12 HD12 ' A' ' 79' ' ' ILE . 1.5 mt -165.4 110.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -90.0 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -132.65 161.94 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 104' ' ' ILE . 62.4 ttt-85 -134.0 129.26 35.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.15 176.78 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.32 -59.82 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -131.47 164.59 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -41.07 -52.55 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -47.89 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -69.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.91 -48.02 14.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.2 mmt180 -54.97 -38.29 67.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.357 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -40.0 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.281 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.9 m95 -62.45 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.499 ' HB2' HG21 ' A' ' 57' ' ' ILE . 1.6 ppp? -54.46 -20.52 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 116' ' ' MET . 16.5 m-20 -85.03 -60.11 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.498 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -48.43 -46.01 37.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.6 mt -50.88 -69.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -37.25 -52.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 125' ' ' SER . 33.5 mt -61.04 -54.03 49.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -41.32 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.9 pp -53.22 -33.62 53.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -88.78 17.79 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 t 77.76 -54.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.68 170.86 46.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.58 21.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 t -144.35 132.43 21.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 t -48.13 -55.62 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -117.66 142.57 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -169.05 85.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.87 87.25 0.32 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.54 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.71 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.56 -93.68 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -53.72 168.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.791 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 30' ' ' LEU . 43.0 t -115.37 -59.84 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 7.1 ptm -160.24 148.13 16.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.86 130.82 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -156.21 171.61 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -89.11 106.0 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 28' ' ' CYS . 23.9 mt -107.86 160.65 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.7 mttt -110.65 122.67 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.5 mp -98.34 141.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 13.5 ttp180 -41.73 130.04 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' HG23 ' A' ' 19' ' ' THR . . . -92.52 173.41 35.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 18' ' ' GLY . 19.3 p -154.23 -44.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD23 ' CG ' ' A' ' 95' ' ' GLN . 4.0 mm? -57.76 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -121.32 -46.27 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.82 -176.11 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.404 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 13.2 m95 -65.74 -178.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.478 HG22 ' HG ' ' A' ' 26' ' ' LEU . 54.5 m -138.26 129.87 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -94.19 93.95 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 mt -101.36 172.76 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.0 t-105 -99.75 96.82 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 14' ' ' LEU . 14.5 m -88.68 128.57 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 35' ' ' LEU . 38.5 t -111.91 121.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -87.49 117.98 26.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.879 ' HB3' HG23 ' A' ' 34' ' ' VAL . 17.4 mttt -112.49 171.3 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -75.09 86.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.891 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.85 25.57 26.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.21 161.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.1 tp -144.92 136.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 38' ' ' TYR . 2.0 mp -117.46 153.78 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.02 122.33 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 36' ' ' LEU . 55.0 m-85 -120.75 148.55 43.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HA ' HD22 ' A' ' 26' ' ' LEU . 8.1 mttt -52.47 -40.87 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -157.87 173.86 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.544 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.34 -29.13 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -67.27 -102.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.53 93.77 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -106.88 -4.14 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.8 t90 64.15 155.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.4 t -133.25 -56.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.22 176.11 43.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -133.38 142.63 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 102' ' ' LEU . 32.2 t -108.88 133.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 34' ' ' VAL . 6.9 mt -97.58 129.16 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 mt -101.54 51.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.705 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.4 m120 -73.29 59.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 84.3 50.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 73.8 m -94.55 144.97 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -116.79 164.29 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -119.43 139.15 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.712 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.2 pt -113.61 -32.55 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 21.3 tt0 85.07 151.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -154.29 68.35 5.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.02 17.51 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.541 1.811 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m 49.29 -177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.41 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 87.27 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.67 72.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.11 -109.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 9.7 t80 -159.03 132.29 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.4 m -146.85 166.55 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.3 p90 -148.89 -179.2 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.712 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -145.75 141.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 HD12 ' A' ' 57' ' ' ILE . 2.8 tt -121.82 119.08 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 50.7 p90 -127.72 173.37 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 11.7 t-80 -109.44 131.08 22.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -74.98 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 mp -60.67 -19.05 57.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 67.26 59.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -115.12 -93.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -163.99 137.32 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.746 HD12 HD12 ' A' ' 102' ' ' LEU . 7.2 pt -107.68 35.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.491 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.5 m95 -132.77 138.89 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.35 141.07 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.704 HG23 ' HE2' ' A' ' 83' ' ' LYS . 14.4 m -57.78 -34.15 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.704 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -128.57 -133.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.67 -147.44 4.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -75.01 -48.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.11 40.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.42 75.75 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ALA . 7.1 mt-10 -144.32 133.41 22.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.66 -56.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.524 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.1 p -168.6 166.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -116.59 -71.32 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 166.12 16.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 94' ' ' THR . 21.3 mt -105.79 -68.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.669 HG23 ' N ' ' A' ' 95' ' ' GLN . 6.7 t 36.78 -150.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.669 ' N ' HG23 ' A' ' 94' ' ' THR . 10.2 mt-30 -65.81 144.81 98.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.962 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.6 Cg_endo -74.91 -15.66 20.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 55.49 -177.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 7.1 t -145.23 -50.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -81.94 -44.52 16.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 22.7 p90 -113.39 -174.87 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 79' ' ' ILE . 2.1 mt -163.73 115.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.673 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.8 mm -95.66 134.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.3 mt -133.46 162.36 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttt180 -136.62 134.28 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -106.54 158.88 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -118.04 152.91 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.594 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.8 tt0 -40.93 -60.81 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' ASP . 67.3 m -43.29 -62.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' SER . 26.2 t0 -39.9 -65.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.466 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.87 -40.74 42.84 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -58.6 -43.42 89.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -29.82 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.531 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 49.3 m95 -73.36 -62.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.5 ppp? -57.65 -21.04 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.7 m-20 -85.27 -60.52 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.03 -52.25 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.403 HD13 HD11 ' A' ' 57' ' ' ILE . 8.5 mt -40.35 -64.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.7 -39.91 12.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 118' ' ' ALA . 27.1 mt -68.17 -53.86 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.82 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -52.17 -35.89 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 121' ' ' LEU . 15.8 mttt -90.34 21.87 3.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 122' ' ' ALA . 3.3 t 70.13 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.29 166.98 12.47 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.3 p -123.36 159.33 29.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -130.86 105.51 7.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 45.84 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.051 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -106.74 128.99 54.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.63 -92.98 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t 60.15 88.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m 65.21 168.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.96 -57.63 18.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -47.29 143.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG1' HD13 ' A' ' 30' ' ' LEU . 75.4 t -85.08 -62.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.545 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.4 ptm -161.5 156.86 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.519 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.99 127.81 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -155.52 168.38 27.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 91.1 m95 -87.76 106.2 17.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD13 HG21 ' A' ' 104' ' ' ILE . 51.0 mt -106.28 138.58 42.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' HD12 ' A' ' 16' ' ' ILE . 5.4 mttt -91.76 135.82 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -109.05 148.01 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 7.3 ttm180 -38.3 144.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.595 ' O ' HG23 ' A' ' 19' ' ' THR . . . -76.66 167.91 54.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 18' ' ' GLY . 1.2 p -156.84 -57.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.383 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HG2' ' A' ' 95' ' ' GLN . 3.1 mt -83.64 -91.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -82.46 -45.94 14.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t -177.28 -163.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 25.8 m95 -58.54 160.08 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -125.51 133.58 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -96.42 93.7 6.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt -97.95 170.67 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.5 t-105 -97.75 100.05 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 14' ' ' LEU . 62.0 m -91.68 127.92 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.41 118.09 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -86.25 120.94 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.3 mttp -114.12 174.64 2.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.0 87.22 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.899 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.98 26.7 33.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.81 147.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.52 142.1 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -122.86 156.01 35.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.94 122.23 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 36' ' ' LEU . 84.9 m-85 -120.76 145.17 47.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.4 mtpt -51.12 -45.02 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -150.82 164.13 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.19 -48.26 36.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -87.51 63.73 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.67 90.78 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.6 -2.44 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.612 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.6 t90 67.69 139.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.75 -48.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.23 164.24 32.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -119.67 145.61 46.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 102' ' ' LEU . 62.1 t -112.0 130.13 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 81' ' ' ALA . 15.5 mt -89.86 134.61 34.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -121.65 48.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -56.57 -40.06 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -171.04 58.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.606 ' O ' HD13 ' A' ' 123' ' ' LEU . 28.3 m -96.09 161.75 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -131.3 167.56 19.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.29 139.66 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -117.59 -33.43 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 6.9 tt0 88.2 145.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -155.62 71.0 5.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.99 -5.9 17.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 t 43.87 73.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.65 -69.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 65' ' ' ASP . 18.0 mmtt -134.0 -93.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 m-20 34.94 71.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 42.48 -93.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.8 t80 -174.92 123.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.35 162.73 32.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.5 p90 -146.31 176.92 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.65 130.02 23.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 57' ' ' ILE . 5.3 tt -115.75 110.6 19.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.525 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 34.2 p90 -119.87 169.1 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.8 t60 -104.5 124.53 36.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.64 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.623 ' N ' HD12 ' A' ' 75' ' ' LEU . 3.5 mp -69.67 -7.86 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 3.5 mt-10 71.63 36.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -93.29 -172.08 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -102.54 114.22 28.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 102' ' ' LEU . 3.8 pt -83.02 50.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.641 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -149.96 135.61 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -70.64 144.25 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.504 HG23 ' HE3' ' A' ' 83' ' ' LYS . 24.2 m -61.41 -33.14 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -126.55 -129.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -148.05 -146.47 4.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.04 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.99 49.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.31 75.18 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -140.09 131.61 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.74 -54.74 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -166.79 150.4 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.515 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -77.29 -110.46 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.55 169.65 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.2 mt -112.54 114.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.442 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 37.9 p -132.01 -166.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.69 ' HG2' HD12 ' A' ' 20' ' ' LEU . 5.1 mt-30 -39.64 159.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.36 42.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -137.15 166.12 29.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.02 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 36.5 t -145.15 -48.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -82.49 -42.43 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.564 ' O ' HD11 ' A' ' 79' ' ' ILE . 27.7 p90 -116.25 -174.46 2.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.4 123.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 15.1 mm -98.76 135.42 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 14' ' ' LEU . 4.9 mt -135.9 145.47 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttm-85 -119.9 131.19 55.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.06 169.6 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -70.41 -62.11 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.93 166.64 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -48.87 51.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.1 m -53.8 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' SER . 1.0 OUTLIER -39.81 -65.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.01 -47.37 48.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 8.1 mmm180 -55.18 -37.48 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -37.31 58.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 42.2 m95 -64.76 -62.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.451 ' O ' HD13 ' A' ' 57' ' ' ILE . 2.1 ppp? -56.37 -23.09 35.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 116' ' ' MET . 32.1 m-20 -82.47 -64.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.57 -43.75 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mt -52.39 -65.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.574 ' HA ' HD21 ' A' ' 123' ' ' LEU . 42.1 mt-10 -42.51 -37.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 124' ' ' LYS . 28.8 mt -74.73 -52.68 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -54.79 -36.92 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -88.81 18.1 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER 64.3 132.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.89 -140.65 0.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 60.37 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 49.7 m 54.04 96.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.8 p -148.07 151.09 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -128.25 78.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m 54.27 91.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.76 -93.99 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t 60.66 108.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -129.13 162.57 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.61 -69.07 1.29 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -48.34 156.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 30' ' ' LEU . 10.5 t -102.02 -63.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.674 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.61 155.86 42.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.953 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.48 119.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' HB2' ' SD ' ' A' ' 10' ' ' MET . 1.1 t0 -156.48 168.42 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.524 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 88.0 m95 -85.56 109.78 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.985 HD11 ' CD2' ' A' ' 115' ' ' TRP . 38.2 mt -108.39 144.07 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.2 mttt -98.19 135.71 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -111.46 148.39 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' N ' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.22 119.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.69 76.93 1.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 t -73.32 -9.37 58.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -81.84 -66.33 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.72 -46.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.3 t -138.01 163.58 31.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.039 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.553 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 24.7 m95 -61.78 135.7 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.5 m -98.8 123.34 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.4 tttt -85.92 92.7 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 85.2 mt -93.8 167.12 11.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.953 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 62.5 t-105 -101.24 97.24 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB2' HD12 ' A' ' 14' ' ' LEU . 65.8 m -90.93 132.29 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.58 118.35 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -85.46 127.2 34.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.944 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.0 mttt -119.1 175.33 2.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.95 26.73 25.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.944 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.53 151.6 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 49' ' ' THR . 3.6 tp -132.02 147.59 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.1 mp -127.47 151.42 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 125.18 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.7 m-85 -123.29 146.55 47.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.0 mtpt -53.44 -38.83 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.7 t -159.92 175.67 12.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.432 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.95 -29.37 17.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -63.68 -98.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.28 -63.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 70.71 1.28 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.37 -7.28 59.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.7 t90 67.9 156.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 66.1 t -131.23 -51.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.69 175.35 47.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.3 m -132.07 145.91 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.522 HG21 HD13 ' A' ' 102' ' ' LEU . 43.9 t -111.66 130.27 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -90.26 130.45 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 53.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.58 -35.63 80.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.13 58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.655 ' O ' HD13 ' A' ' 123' ' ' LEU . 27.6 m -97.4 149.26 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 27.3 mp0 -117.64 174.18 6.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -133.02 138.59 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -118.34 -32.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.2 tt0 89.48 151.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' CYS . 2.4 mtm-85 -163.58 88.41 1.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.04 -11.3 21.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PRO . 2.1 t 37.61 86.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 49.8 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.96 77.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -143.33 78.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.35 -119.67 18.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 113' ' ' ARG . 5.1 t80 -164.66 132.2 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' ARG . 73.0 m -144.86 160.63 40.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -138.17 173.47 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -131.79 137.86 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.1 tt -126.71 109.88 12.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -114.22 168.1 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 74' ' ' PRO . 1.7 t60 -119.68 124.82 27.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.02 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 7.4 mp -48.39 -26.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 64.94 56.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -109.33 -91.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t -173.17 120.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.74 ' CD1' HD12 ' A' ' 102' ' ' LEU . 4.0 pt -91.82 40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -138.26 139.16 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.12 145.13 40.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.71 HG23 ' HE2' ' A' ' 83' ' ' LYS . 2.7 m -63.73 -29.33 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.71 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -129.81 -132.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.31 -146.27 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 48.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.96 81.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.56 136.96 28.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.56 -58.07 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -165.2 152.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.06 -108.31 0.41 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 164.84 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.79 118.01 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.451 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 34.6 p -132.37 -165.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.79 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -41.06 161.77 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.32 40.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.798 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.465 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -140.68 165.22 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.5 Cg_endo -74.94 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.1 t -136.8 -55.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -82.28 -53.94 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 4.7 p90 -96.46 177.25 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.74 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.7 mt -161.65 119.96 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mm -97.85 134.7 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 14' ' ' LEU . 3.6 mt -133.37 153.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.505 ' CZ ' ' CE2' ' A' ' 23' ' ' TRP . 28.1 ttm180 -129.5 132.92 47.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.87 157.34 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -66.21 -56.48 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.66 142.41 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 16.0 tt0 -38.81 -50.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.39 -62.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -45.36 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.59 -51.02 10.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 67' ' ' PHE . 5.4 mtm180 -56.9 -33.31 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -38.14 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.985 ' CD2' HD11 ' A' ' 14' ' ' LEU . 48.7 m95 -63.92 -57.73 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.471 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.6 ppp? -61.35 -23.01 65.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 9.4 m-20 -83.29 -62.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.51 11.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.09 -68.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.645 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -39.08 -38.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 124' ' ' LYS . 20.2 mt -73.19 -56.53 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.34 -63.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -53.82 -36.23 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.0 mmtt -86.38 12.37 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.1 t -113.1 -29.78 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 57.55 163.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.76 42.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.44 133.19 36.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.8 m -128.3 137.07 51.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -43.81 150.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.15 98.66 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.65 -89.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.82 84.29 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.86 125.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.68 -56.4 23.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.86 145.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 30' ' ' LEU . 73.3 t -83.14 -63.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.55 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -161.95 157.33 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.48 127.6 22.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.04 169.15 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.0 m95 -85.38 106.18 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.617 HD13 HG21 ' A' ' 104' ' ' ILE . 61.3 mt -108.04 137.2 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 tttt -95.37 131.6 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -99.32 149.33 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 3.6 ttp180 -37.8 152.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.09 81.57 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.654 HG21 ' O ' ' A' ' 96' ' ' PRO . 2.7 p -46.87 -45.29 20.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mt -96.7 -82.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -41.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -110.62 158.62 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.495 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 15.7 m95 -75.39 168.18 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 m -123.07 121.64 36.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 3.6 tttt -90.57 86.27 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 39' ' ' LYS . 40.4 mt -94.05 171.68 8.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.5 t-105 -97.93 98.51 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.1 m -93.27 128.58 39.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.8 119.89 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.564 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 121.61 29.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.903 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.6 mttt -115.78 172.79 3.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.69 25.73 31.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -167.26 152.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -135.19 138.48 43.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -119.8 159.11 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.47 132.03 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.462 ' OH ' HD22 ' A' ' 36' ' ' LEU . 70.9 m-85 -129.29 139.76 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' HE2' HG23 ' A' ' 94' ' ' THR . 5.8 mttt -45.59 -41.62 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.5 t -156.72 175.95 13.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.04 -35.52 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -53.84 -68.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.99 78.86 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.22 -6.29 48.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 25.4 t90 68.23 149.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.7 -54.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.46 47.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.2 m -128.71 137.91 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 60.8 t -104.51 127.43 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.0 mt -90.68 135.06 33.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -116.92 52.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 26.0 m-20 -55.95 -39.3 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.53 63.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.55 ' O ' HD13 ' A' ' 123' ' ' LEU . 26.5 m -100.73 152.69 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -119.19 174.02 6.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -131.04 132.03 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -113.02 -32.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER 89.5 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -156.8 70.36 4.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.3 Cg_endo -75.0 -11.99 21.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.3 m 52.84 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.07 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 109.7 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.54 76.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.58 -105.92 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 2.8 t80 -168.12 129.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.4 m -142.42 162.22 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.5 p90 -138.43 173.38 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 135.72 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.3 tt -121.75 112.8 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -118.03 168.02 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 75' ' ' LEU . 1.6 t60 -116.31 123.64 30.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HD2' ' CD2' ' A' ' 73' ' ' HIS . 18.2 Cg_endo -74.98 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 8.8 mp -46.32 -26.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' PRO . 26.1 mt-10 65.78 59.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -115.84 -81.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.85 125.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.769 HD12 HD12 ' A' ' 102' ' ' LEU . 4.8 pt -96.4 40.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.609 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.5 m95 -138.35 151.18 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.949 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.63 139.42 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.768 HG23 ' HE3' ' A' ' 83' ' ' LYS . 29.3 m -66.87 -37.6 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.768 ' HE3' HG23 ' A' ' 82' ' ' VAL . 1.9 mtmt -103.38 -166.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.09 -147.0 6.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.02 -47.8 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -32.93 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.43 58.93 0.26 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.6 mp0 -129.61 140.23 51.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 0.722 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.49 -53.71 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.2 p -168.19 150.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.478 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.89 -103.48 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.29 168.28 12.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 94' ' ' THR . 11.7 mt -78.71 -54.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.623 HG23 ' HE2' ' A' ' 39' ' ' LYS . 2.0 m 51.51 174.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.28 163.55 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.654 ' O ' HG21 ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.97 159.4 41.49 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.609 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -144.18 169.04 10.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.1 Cg_endo -75.05 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 14.7 t -135.29 -46.6 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.46 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 19.2 p90 -101.29 -177.3 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.96 110.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.19 136.03 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HD13 ' A' ' 14' ' ' LEU . 4.1 mt -135.32 145.46 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' LYS . 32.9 ttt85 -121.46 128.04 51.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.97 171.27 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -68.43 -60.76 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.6 153.19 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.8 tt0 -38.67 -54.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -46.99 -64.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.24 -68.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.68 -50.59 10.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -53.92 -34.41 59.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -38.69 54.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.262 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.55 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 44.2 m95 -63.29 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.629 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -47.76 -32.31 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.28 -56.55 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.01 -43.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -56.19 -68.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -35.58 -50.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 125' ' ' SER . 30.3 mt -62.69 -51.88 65.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.64 -68.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -52.46 -34.6 49.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -90.19 21.96 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER 72.48 -62.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.83 170.55 44.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.47 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 91.8 p -150.1 103.15 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.8 t 63.92 122.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.42 147.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 30' ' ' LEU . 79.3 t -89.43 -64.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.513 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.0 ptm -159.6 156.43 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.773 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.51 129.34 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -155.96 164.92 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -85.51 106.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD21 ' NE1' ' A' ' 115' ' ' TRP . 31.3 mt -105.42 150.24 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.4 mttt -96.85 136.89 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 39' ' ' LYS . 72.8 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.773 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.4 t-105 -98.4 98.39 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 14' ' ' LEU . 25.5 m -93.92 132.36 38.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.87 119.8 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -85.86 116.63 24.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.925 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.8 mttt -110.78 173.41 2.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 89.66 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.888 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.21 27.18 34.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -167.74 158.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.723 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tp -139.18 136.05 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -115.85 154.76 29.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.35 130.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' ' 36' ' ' LEU . 96.4 m-85 -130.08 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.6 mttt -51.17 -42.61 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 2.7 t -156.1 175.16 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.95 -31.71 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -58.36 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.33 -66.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.74 68.56 1.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -78.58 -9.46 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 29.5 t90 67.16 145.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.77 -55.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 173.54 46.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -125.45 143.51 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 0.726 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 102' ' ' LEU . 49.1 t -113.23 135.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 81' ' ' ALA . 17.6 mt -98.63 137.09 37.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 47.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -51.82 -36.97 49.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.04 58.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 123' ' ' LEU . 17.7 m -97.78 159.13 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -126.97 166.8 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.549 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.89 138.89 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.84 -31.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' CG ' ' HE3' ' A' ' 116' ' ' MET . 11.4 tt0 84.11 155.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -164.16 67.21 1.45 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.2 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.477 0.18 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.73 173.84 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.3 p90 -156.65 179.48 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -141.79 127.77 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -111.89 111.87 23.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 37.5 p90 -122.92 173.84 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -106.7 127.56 27.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.97 6.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -91.54 25.23 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.5 mt-10 36.49 90.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.26 -173.91 3.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 p -98.03 108.43 21.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 102' ' ' LEU . 3.1 pt -84.27 49.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.3 m95 -147.85 137.78 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -74.99 143.65 43.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.646 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.6 m -58.26 -33.35 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -127.19 -134.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.574 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.74 -145.25 4.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.94 -50.34 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -97.08 40.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.8 64.52 2.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -130.89 131.92 44.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -42.88 -60.82 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.6 t -149.39 156.76 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.49 -66.16 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.99 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 23.0 t -141.47 -44.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -55.06 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 9.8 p90 -97.05 178.93 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 79' ' ' ILE . 1.7 mt -163.04 110.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 70' ' ' LYS . 4.5 mm -87.75 132.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.3 mt -132.66 160.86 42.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 15' ' ' LYS . 21.1 ttt-85 -135.95 139.37 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.13 177.37 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -66.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 m -117.64 154.74 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -43.15 -40.72 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 m -58.49 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.59 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.69 -46.09 59.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -55.88 -35.17 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -35.26 55.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.551 ' NE1' HD21 ' A' ' 14' ' ' LEU . 47.5 m95 -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.9 ppp? -55.0 -22.79 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 116' ' ' MET . 30.3 m-20 -82.72 -60.62 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.1 34.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -45.58 -60.27 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.517 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.8 mt-10 -47.45 -39.68 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 124' ' ' LYS . 27.3 mt -71.2 -53.49 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.01 -63.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -53.79 -36.08 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 121' ' ' LEU . 11.0 mmtt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.53 146.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.7 HG11 HD13 ' A' ' 30' ' ' LEU . 59.9 t -86.72 -64.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.8 ptm -160.27 157.08 27.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.1 128.98 23.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -155.86 170.37 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -87.44 109.77 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 HG21 ' A' ' 104' ' ' ILE . 19.3 mt -112.67 135.83 52.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.58 132.06 34.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -99.56 97.29 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 12.8 m -91.2 134.79 34.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.346 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.81 119.64 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD13 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -86.1 116.18 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.896 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.3 mttt -112.28 172.41 3.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 89.68 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.23 26.77 35.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.52 157.05 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.2 mp -116.88 155.82 28.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.81 126.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -124.93 139.18 54.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.4 mttt -46.6 -49.27 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -148.3 172.29 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.486 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -89.63 -28.91 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -46.91 -67.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.96 88.59 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.53 -6.18 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 67.9 152.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.43 -56.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.05 169.16 41.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 m -120.79 137.04 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 102' ' ' LEU . 45.9 t -104.6 128.04 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.82 130.84 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.01 49.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -34.86 64.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -178.53 62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.74 ' O ' HD13 ' A' ' 123' ' ' LEU . 33.5 m -99.67 163.83 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.68 174.96 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.771 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.72 142.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pp -123.51 -35.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.6 tt0 91.82 153.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -166.54 74.16 1.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.8 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.477 0.18 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.4 m -140.83 163.11 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 108.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.1 p90 -143.52 176.23 9.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -135.37 130.14 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 57' ' ' ILE . 4.8 tt -120.19 110.48 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -117.32 168.61 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.7 t-80 -112.27 121.5 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.03 -26.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 65.21 60.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -117.2 -82.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -170.15 141.25 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 HD12 ' A' ' 102' ' ' LEU . 1.6 pt -117.23 25.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -132.66 143.17 49.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.05 159.17 27.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.717 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.6 m -74.27 -33.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.717 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -126.59 -133.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -146.46 -144.93 4.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.05 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.09 35.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.24 60.36 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.4 133.2 50.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.58 -60.12 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.91 156.21 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.18 -68.65 1.0 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.96 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 m -139.75 -46.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 p -92.59 -55.35 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 21.9 p90 -95.54 177.81 5.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -159.18 110.33 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 18.9 mm -84.15 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.3 mt -135.68 163.54 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.466 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttm180 -135.25 139.16 44.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.41 168.33 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.28 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.12 168.38 10.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.38 -54.1 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' ASP . 19.2 m -51.21 -59.64 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . 4.1 m-20 -40.14 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.28 -53.1 8.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -49.88 -35.4 23.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -38.06 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.551 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 37.8 m95 -64.3 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.52 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -51.08 -27.16 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.45 -62.42 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.29 -35.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.444 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -61.87 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.735 ' HA ' HD21 ' A' ' 123' ' ' LEU . 52.9 mt-10 -38.65 -37.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 124' ' ' LYS . 18.9 mt -75.97 -53.14 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -59.34 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -56.29 -33.97 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.8 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.464 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.2 mp -52.76 149.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.601 ' CG1' HD13 ' A' ' 30' ' ' LEU . 72.4 t -91.42 -62.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.536 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.3 ptm -160.4 157.19 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.84 127.66 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -155.72 169.08 25.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -87.85 106.3 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 107.96 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD13 HG21 ' A' ' 104' ' ' ILE . 43.1 mt -106.12 141.88 36.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.0 mttt -93.13 130.97 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.4 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -95.98 97.93 9.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' HD12 ' A' ' 14' ' ' LEU . 48.2 m -90.66 135.42 33.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -119.29 118.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.04 120.08 27.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.905 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.4 mttm -113.11 173.95 2.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -74.99 87.04 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.897 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.39 25.73 32.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.905 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.1 m -167.45 153.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -134.66 142.05 46.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -122.01 155.98 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.69 126.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 87.4 m-85 -124.39 144.68 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 26' ' ' LEU . 17.7 mttt -50.67 -52.95 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.39 -40.9 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' GLN . 6.5 mmtt -39.63 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 2.9 p30 -88.7 -54.56 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 77.6 88.22 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.38 -4.42 58.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.4 t90 68.15 153.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.963 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.75 -53.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.32 176.32 45.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.578 1.174 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -133.33 142.06 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 47.5 t -111.1 129.55 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 34' ' ' VAL . 12.7 mt -96.57 134.93 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -108.09 54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.687 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 67.6 m-80 -70.95 59.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 83.32 53.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 74.1 m -97.19 156.69 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -125.87 165.45 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.64 139.32 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.3 pt -114.56 -32.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.0 tt0 84.94 149.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 3.6 mtm180 -158.05 69.2 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.4 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.521 0.201 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -149.88 167.92 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.266 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.43 176.54 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -140.38 129.12 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -113.52 115.73 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' HE1' HG23 ' A' ' 58' ' ' ILE . 55.1 p90 -120.15 170.28 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 75' ' ' LEU . 8.9 t-80 -107.49 126.71 29.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -40.36 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 73' ' ' HIS . 5.8 mp -59.54 -18.95 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.99 53.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.61 -84.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -174.02 145.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 102' ' ' LEU . 3.6 pt -116.04 49.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.674 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.0 m95 -146.52 138.72 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -76.29 146.6 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.536 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.8 m -64.79 -32.85 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -125.04 -129.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -148.65 -145.54 4.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.96 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -93.38 46.54 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 83' ' ' LYS . . . 37.87 70.7 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.053 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 83' ' ' LYS . 12.2 mt-10 -136.05 135.49 39.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.84 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -164.08 154.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -90.28 -97.07 1.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.532 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.531 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.0 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 15.4 m -137.5 -45.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 p -79.84 -53.0 7.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 19.9 p90 -105.76 -174.59 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 79' ' ' ILE . 1.9 mt -165.44 120.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.0 mm -94.22 135.8 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.1 mt -136.35 163.28 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 104' ' ' ILE . 35.7 ttt180 -138.91 146.02 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -118.02 173.91 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.05 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.59 151.38 40.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -39.08 -40.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -67.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -42.26 -56.06 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.402 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -55.7 -47.19 79.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -56.1 -34.99 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -34.79 49.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 30.6 m95 -64.92 -59.25 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.01 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.515 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 ppp? -60.21 -24.92 65.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 5.2 m-20 -81.11 -53.45 6.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.8 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 12.4 mt -52.41 -68.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -37.3 -54.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 32.4 mt -60.27 -52.89 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -40.59 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -52.88 -30.36 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 mmtt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -49.86 147.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' CG1' HD13 ' A' ' 30' ' ' LEU . 69.9 t -87.84 -63.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 12.6 ptm -160.94 157.23 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.623 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.85 129.01 22.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -156.07 168.48 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -85.7 106.29 16.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 115' ' ' TRP . 81.8 mt -105.12 146.49 29.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.626 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.7 mttt -96.39 136.83 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.3 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 73.4 t-105 -101.51 96.03 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 m -89.94 137.88 31.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.39 119.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -85.99 118.81 25.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.2 mttt -113.71 173.76 2.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 86.67 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.885 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.54 27.07 30.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.924 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.44 150.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.86 138.51 45.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.03 157.13 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -136.95 135.9 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.44 140.9 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' HA ' HD22 ' A' ' 26' ' ' LEU . 4.5 mttt -49.04 -38.11 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -164.51 173.35 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -86.14 -45.54 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -94.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.09 -70.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.79 0.88 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.48 -4.4 55.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 24.5 t90 68.03 149.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.34 -53.49 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.83 -177.81 46.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 138.48 45.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 102' ' ' LEU . 56.3 t -106.28 129.09 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.9 mt -90.93 134.06 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -117.38 36.28 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.62 -44.87 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.34 59.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.67 160.4 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.16 170.47 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -124.79 135.58 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -112.04 -31.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.9 tt0 87.82 154.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -164.47 85.84 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 4.1 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 39.3 m -131.23 161.57 31.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.7 p90 -138.7 -179.94 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.3 132.99 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.7 tt -119.65 112.7 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 42.1 p90 -122.94 168.06 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -101.28 126.38 34.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.546 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.59 -11.87 61.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.19 64.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -114.92 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -177.09 135.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.948 HD12 HD12 ' A' ' 102' ' ' LEU . 6.0 pt -108.23 36.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.2 m95 -137.36 154.76 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 1.013 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -108.51 141.29 40.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE3' ' A' ' 83' ' ' LYS . 32.1 m -66.23 -43.12 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' A' ' 82' ' ' VAL . 2.2 mtmt -97.71 -166.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.533 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -130.23 -146.44 5.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.0 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' CE ' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -83.88 -33.5 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.56 56.0 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -127.39 144.77 51.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.54 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -167.08 154.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -85.6 -92.45 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.02 -163.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.46 -47.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 p -82.53 -48.86 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 16.5 p90 -107.87 -174.88 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.948 HD12 HD12 ' A' ' 79' ' ' ILE . 2.0 mt -165.58 113.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 6.2 mm -93.31 134.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.5 mt -133.25 163.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 64.5 ttt180 -139.79 137.11 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.43 165.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.3 m -67.91 -72.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -105.2 145.27 30.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -41.96 -50.81 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.61 -44.63 37.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.06 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -49.1 -55.19 12.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 5.0 mtm180 -48.06 -32.61 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -35.73 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.604 ' CD2' HD11 ' A' ' 14' ' ' LEU . 49.3 m95 -67.08 -57.05 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.486 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 ppp? -61.23 -20.77 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 -58.24 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.77 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -42.45 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 53.4 mt-10 -40.33 -44.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.5 mt -67.3 -51.44 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.43 -67.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -53.1 -33.83 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -48.24 146.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 30' ' ' LEU . 76.5 t -87.79 -63.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 115' ' ' TRP . 16.6 ptm -160.06 157.33 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.87 126.77 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 10.9 t0 -155.74 170.51 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.423 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 82.3 m95 -85.33 110.8 19.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 115' ' ' TRP . 27.1 mt -116.93 145.25 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.735 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.5 mttt -95.34 136.72 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 39' ' ' LYS . 39.1 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.2 t-105 -91.24 96.68 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 14' ' ' LEU . 38.5 m -91.27 133.6 35.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 t -115.98 119.47 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.14 119.29 26.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.1 mttt -112.92 173.72 2.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.57 26.41 27.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.6 150.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tp -132.74 137.55 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HE1' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -118.15 157.66 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.95 128.46 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 77.8 m-85 -124.76 149.56 47.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.2 mtpt -51.57 -43.19 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.6 t -160.66 173.17 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.599 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.84 -45.87 9.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -79.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.37 -63.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.541 ' H ' HG23 ' A' ' 40' ' ' THR . . . 72.74 90.05 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 29.1 mt-30 -110.03 -3.06 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.3 t90 61.13 151.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -126.91 -55.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 -178.4 42.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.437 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.6 m -133.92 144.62 48.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 102' ' ' LEU . 56.1 t -108.15 128.66 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.7 mt -89.83 132.6 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.6 41.62 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -46.9 -38.35 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.96 58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 123' ' ' LEU . 19.2 m -97.01 157.94 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.06 162.54 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.8 137.02 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.602 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -111.96 -30.69 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 14.2 tt0 83.4 146.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -152.46 68.62 7.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.6 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.504 0.193 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.9 m -144.53 164.51 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.9 p90 -150.49 176.11 11.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.602 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -141.37 145.69 35.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -126.53 112.87 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 37.6 p90 -122.4 167.06 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 8.6 t-80 -105.87 125.65 32.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.5 mp -55.81 -19.68 12.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 65.87 59.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -119.32 -76.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 147.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.909 HD12 HD12 ' A' ' 102' ' ' LEU . 3.5 pt -118.75 46.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.617 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.0 m95 -143.31 154.11 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.875 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -106.54 138.37 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.57 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.5 m -68.28 -41.31 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.5 mtmt -96.67 -166.61 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.43 -150.26 6.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.97 -24.54 12.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.3 mmtt -127.21 53.67 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.24 68.07 0.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -131.12 130.13 42.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.8 -50.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -170.24 160.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.77 -83.24 1.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.552 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.04 -164.91 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.4 t -144.02 -46.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -84.12 -42.94 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 14.3 p90 -114.52 -178.47 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.909 HD12 HD12 ' A' ' 79' ' ' ILE . 1.8 mt -165.59 111.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.9 mm -87.8 137.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.1 mt -135.55 153.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -134.14 133.04 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.15 -176.23 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.92 -55.74 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.03 157.09 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 1.2 tm-20 -42.79 -45.22 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -64.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.09 -65.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -45.28 -53.05 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 mmm180 -48.98 -30.68 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -34.2 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 10' ' ' MET . 42.4 m95 -70.19 -59.93 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.9 ppp? -56.61 -23.82 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 116' ' ' MET . 14.5 m-20 -83.66 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.94 -38.4 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.73 -60.8 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.52 ' HA ' HD21 ' A' ' 123' ' ' LEU . 34.8 mt-10 -47.96 -39.34 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.7 mt -71.39 -51.96 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.68 -65.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -52.88 -34.16 53.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.6 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.2 mp -55.16 152.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 30' ' ' LEU . 73.4 t -93.3 -61.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.573 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 17.4 ptm -161.73 158.85 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -143.56 124.47 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -155.7 173.4 16.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -84.93 112.08 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE3' ' A' ' 115' ' ' TRP . 79.8 mt -111.65 134.67 53.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 16' ' ' ILE . 21.9 mttt -85.6 117.44 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' HA ' ' A' ' 39' ' ' LYS . 12.9 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.3 t-105 -92.39 95.57 9.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB2' HD12 ' A' ' 14' ' ' LEU . 33.4 m -89.86 132.09 35.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -114.62 120.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 1.2 tt -85.8 124.84 32.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.921 ' HB3' HG23 ' A' ' 34' ' ' VAL . 9.5 mttt -121.62 172.69 4.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.95 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.38 29.64 24.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -168.49 158.89 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -144.88 134.27 23.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD13 ' HE3' ' A' ' 31' ' ' LYS . 3.9 mp -115.82 153.46 31.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.09 122.31 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 64.1 m-85 -118.14 146.42 44.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HA ' HD22 ' A' ' 26' ' ' LEU . 5.8 mtpt -49.89 -45.66 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -155.61 168.81 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.54 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -85.87 -32.31 21.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -61.07 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -49.44 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.45 87.27 0.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 31.5 mt-30 -102.27 -1.66 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.589 ' CH2' ' HA3' ' A' ' 84' ' ' GLY . 27.4 t90 59.91 159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.81 -55.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.32 -179.36 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -135.37 145.24 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 79' ' ' ILE . 42.6 t -111.9 131.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -94.46 132.24 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -111.59 50.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -52.8 -40.29 63.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.56 59.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.719 ' CB ' HD21 ' A' ' 71' ' ' LEU . 13.5 m -98.17 152.88 18.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -123.14 166.46 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -118.93 133.82 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -110.9 -29.26 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.8 tt0 87.44 149.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -162.87 82.31 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 2.6 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.461 0.172 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ARG . 86.2 m -148.96 161.63 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.8 p90 -135.3 169.33 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -131.87 123.15 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 57' ' ' ILE . 3.2 tt -114.56 135.1 54.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 47.3 p90 -139.37 173.85 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.23 122.82 40.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.615 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.59 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.36 -16.03 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 58.42 73.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -124.96 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.6 t -179.23 126.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.873 ' CD1' HD12 ' A' ' 102' ' ' LEU . 3.6 pt -99.76 35.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.2 m95 -136.26 155.03 50.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -92.32 152.9 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.729 HG23 ' HE3' ' A' ' 83' ' ' LYS . 12.3 m -68.68 -32.49 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -127.6 -131.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.56 -147.9 4.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.88 43.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.77 71.56 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.28 138.82 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.296 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.63 -53.23 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.422 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 p -167.94 159.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.68 -83.87 1.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.97 179.9 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.9 t -127.61 -40.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 p -87.71 -54.02 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.9 p90 -102.86 179.78 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.873 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -164.58 120.18 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.38 136.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.3 mt -135.68 159.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -139.46 148.58 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.29 168.16 10.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -61.63 -53.23 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.97 172.45 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.35 -57.99 9.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -54.98 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.16 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -52.43 -30.53 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -34.69 29.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.573 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 38.3 m95 -67.56 -55.71 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.433 ' O ' HD13 ' A' ' 57' ' ' ILE . 24.2 ptm -60.68 -31.23 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.33 -53.74 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.49 -44.16 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.2 mt -55.72 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -36.62 -50.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.78 -51.5 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.41 -66.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.3 pp -54.51 -33.11 59.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -50.04 146.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' HB ' HD22 ' A' ' 30' ' ' LEU . 75.5 t -84.67 -63.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.9 ptm -161.29 156.95 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.23 122.49 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -155.66 156.62 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -73.95 119.83 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 11.9 mt -126.59 135.19 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.9 mptt -90.47 117.33 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 39' ' ' LYS . 10.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.714 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 44.8 t-105 -99.19 97.13 8.26 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 14' ' ' LEU . 19.9 m -86.55 140.84 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.253 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' O ' HD12 ' A' ' 35' ' ' LEU . 29.2 t -122.88 120.29 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.42 123.57 31.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.2 mttt -118.62 172.72 3.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -74.98 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.94 27.16 19.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.83 158.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 29' ' ' VAL . 1.9 tp -144.16 135.03 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.6 mp -115.88 155.85 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.29 125.52 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 81.1 m-85 -124.16 139.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.1 mttt -44.26 -45.95 8.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 3.5 t -151.13 177.65 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.24 -35.74 14.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.28 -88.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -64.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.77 61.98 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.1 -7.57 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 28.1 t90 67.37 161.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.37 -54.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.44 173.87 46.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -128.46 141.79 51.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 102' ' ' LEU . 43.0 t -107.45 130.69 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.9 mt -94.25 131.57 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.47 41.8 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.86 -38.53 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.58 58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.648 ' CB ' HD21 ' A' ' 71' ' ' LEU . 27.9 m -96.38 160.02 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -127.5 169.32 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.11 134.6 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.65 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -113.05 -31.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.602 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 9.0 tt0 84.93 150.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -155.31 77.2 4.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.6 t80 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.518 0.199 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.3 m -131.33 164.06 26.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.3 p90 -148.09 179.16 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -143.35 142.68 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 57' ' ' ILE . 5.0 tt -125.0 114.73 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 41.5 p90 -123.8 168.52 12.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.551 ' CE1' HD13 ' A' ' 75' ' ' LEU . 9.0 t-80 -103.71 126.24 32.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.55 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.03 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.1 mp -57.9 -21.56 44.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.0 64.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.44 -79.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.8 HD12 HD12 ' A' ' 102' ' ' LEU . 5.8 pt -108.84 41.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.1 m95 -135.87 154.5 51.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -93.68 138.92 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.77 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.0 m -57.36 -28.7 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.77 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -129.4 -130.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -145.88 -146.3 4.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.03 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 37.08 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.13 76.06 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ALA . 13.3 mt-10 -140.59 135.33 31.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.89 -53.55 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.9 p -169.92 164.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -103.24 -93.65 2.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.01 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 69.1 m -142.49 -45.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 m -93.6 -52.94 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 1.4 p90 -94.87 165.06 12.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -156.28 116.91 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mm -90.22 137.95 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 8.0 mt -136.37 143.4 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -119.63 134.19 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -107.77 178.13 4.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -72.33 -68.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -118.66 171.81 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -52.92 -39.22 62.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -66.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.99 -64.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.23 -41.14 38.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.8 mmt180 -62.9 -35.97 81.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -35.13 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.673 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 37.1 m95 -63.92 -58.0 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.474 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.8 ppp? -62.13 -21.64 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 116' ' ' MET . 0.5 OUTLIER -83.26 -58.31 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.75 -53.22 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' GLU . 8.1 mt -43.42 -69.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -35.65 -51.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.9 mt -64.74 -51.11 64.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -41.08 -66.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -54.53 -32.66 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.22 158.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 30' ' ' LEU . 5.9 t -107.21 -63.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.675 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.9 154.71 41.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.842 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -146.07 118.41 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.86 172.67 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.463 ' O ' HD23 ' A' ' 14' ' ' LEU . 83.9 m95 -87.87 128.45 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.061 HD11 ' CE2' ' A' ' 115' ' ' TRP . 47.9 mt -133.44 159.08 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 7.4 mttt -115.26 119.48 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.6 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.842 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 68.0 t-105 -94.83 95.7 8.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 107.984 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.9 m -89.16 131.2 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.53 118.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -85.53 129.1 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.6 mttm -120.09 174.99 2.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.98 83.88 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.57 27.14 20.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.2 157.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' THR . 6.0 tp -137.4 140.52 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -120.11 155.04 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.89 122.6 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 46' ' ' TRP . 50.1 m-85 -119.32 148.54 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.9 mtpt -53.54 -51.95 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.1 t -144.51 174.62 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.6 OUTLIER -87.9 -46.78 9.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -90.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -53.74 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 70.17 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.46 -7.0 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 31.4 t90 66.77 152.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 54.4 t -126.84 -55.44 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.26 178.22 43.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.1 m -133.33 149.02 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 110.381 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG21 HD13 ' A' ' 102' ' ' LEU . 37.6 t -113.58 131.66 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.8 mt -94.26 129.33 40.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 56.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -59.51 -35.13 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.74 57.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.593 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.4 m -96.08 156.3 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.51 169.1 14.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -121.5 133.24 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -111.79 -29.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 16.7 tt0 86.77 154.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.8 mtt-85 -168.43 78.14 0.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 3.1 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.56 0.219 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.0 m -143.69 167.84 21.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -142.38 -179.69 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.11 120.6 13.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -106.39 110.08 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 51.8 p90 -115.64 161.78 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.5 t-80 -110.16 119.31 47.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.433 1.754 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -47.95 -26.38 1.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.43 58.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -117.89 -79.81 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.64 142.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 102' ' ' LEU . 4.3 pt -115.74 39.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.671 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.2 m95 -137.88 125.99 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -64.28 137.98 58.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.66 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.2 m -55.57 -32.08 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.66 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -128.32 -134.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -141.99 -146.87 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.95 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -102.25 45.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.36 62.95 0.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -123.98 141.83 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.03 -55.83 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.429 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -166.4 156.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.422 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -83.62 -81.19 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.979 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.671 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.97 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.4 t -141.57 -46.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -50.65 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 26.1 p90 -105.73 -175.2 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -165.61 115.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.35 137.81 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.362 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.1 mt -134.47 161.22 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 4.7 ttt180 -135.67 141.32 44.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.29 170.28 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -73.57 -50.45 21.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.71 157.9 43.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -42.73 -60.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.46 -63.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' CYS . 18.5 m-20 -45.14 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.36 -48.04 6.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -56.5 -35.16 67.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.1 OUTLIER -71.76 -39.79 69.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 1.061 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.4 m95 -64.08 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.506 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 ptm -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -83.34 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.67 -41.29 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.87 -62.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.7 mt-10 -45.97 -41.05 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 124' ' ' LYS . 30.4 mt -70.32 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.24 -64.48 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -53.48 -32.92 52.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.6 mttt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.93 166.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.648 ' CB ' HD22 ' A' ' 30' ' ' LEU . 42.2 t -110.24 -58.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 11.6 ptm -162.86 153.33 16.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.671 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.79 129.91 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 7.9 t0 -155.47 168.74 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CH2' ' HA ' ' A' ' 40' ' ' THR . 85.5 m95 -86.92 106.29 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 115' ' ' TRP . 33.0 mt -108.98 148.57 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' HD12 ' A' ' 16' ' ' ILE . 10.5 mttt -95.82 136.42 36.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 39' ' ' LYS . 49.3 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.671 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.4 t-105 -99.41 104.81 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.2 m -96.56 131.32 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 35' ' ' LEU . 89.1 t -112.28 129.17 68.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD22 ' CB ' ' A' ' 9' ' ' VAL . 3.0 tt -94.0 124.52 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HB3' HG23 ' A' ' 34' ' ' VAL . 18.3 mttt -117.27 172.24 4.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 79.52 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.829 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 95.5 28.75 9.35 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.92 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -168.28 162.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.3 tp -145.03 139.16 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD22 ' OH ' ' A' ' 38' ' ' TYR . 4.4 mp -121.7 157.2 31.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' OH ' HD22 ' A' ' 36' ' ' LEU . 51.5 m-85 -129.04 144.58 51.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.8 mttt -49.8 -41.86 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -158.12 173.55 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.81 -46.27 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.98 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.35 84.33 0.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -91.4 -7.44 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 29.4 t90 67.37 148.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 107.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.4 t -123.02 -57.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.82 -178.69 40.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -136.28 138.61 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 102' ' ' LEU . 41.7 t -107.31 131.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 mt -94.65 132.45 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -113.09 43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.68 -38.84 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.17 60.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.04 164.6 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -132.64 169.62 16.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.93 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.59 136.02 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -116.69 -33.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.559 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 16.3 tt0 88.57 152.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' NH2' HD11 ' A' ' 103' ' ' ILE . 2.2 mtm-85 -163.01 70.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 15.6 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.534 0.207 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 75.1 m -139.03 163.78 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.2 p90 -144.34 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -134.97 132.72 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 57' ' ' ILE . 5.5 tt -120.97 110.03 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -119.21 163.73 16.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.4 t-80 -104.35 122.03 45.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.1 mp -51.16 -22.03 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 65.44 66.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -127.26 -77.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.68 151.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -125.11 35.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.642 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.0 m95 -134.17 151.87 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -98.01 144.32 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.19 -41.25 91.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -114.31 -161.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.556 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -125.9 -146.57 6.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -38.1 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -108.52 47.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.35 53.54 3.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -121.49 126.74 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.98 -62.59 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.9 t -145.22 157.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.51 -57.8 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.642 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -141.82 -48.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 p -82.18 -47.21 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 15.0 p90 -109.1 -176.08 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -165.45 124.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' NH2' ' A' ' 60' ' ' ARG . 2.3 mm -103.18 135.63 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.7 mt -131.79 162.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 104' ' ' ILE . 5.3 ttp180 -134.18 139.78 46.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 105' ' ' ARG . . . -110.78 171.55 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -79.97 -50.16 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 151.0 49.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 9.3 tt0 -40.65 -55.58 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.83 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -44.22 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.44 -45.97 52.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -54.32 -38.63 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -28.96 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.515 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 51.5 m95 -75.16 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.511 ' HB2' HG21 ' A' ' 57' ' ' ILE . 22.7 ptm -52.34 -25.75 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -81.99 -60.63 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.06 -40.08 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -56.08 -66.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -40.69 -43.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -69.22 -53.12 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -39.36 -66.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -52.59 -35.27 53.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 121' ' ' LEU . 7.8 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -51.47 148.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 30' ' ' LEU . 55.1 t -88.97 -62.12 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.555 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.1 ptm -162.25 157.33 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.7 123.53 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.24 161.84 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -74.7 107.68 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 ' CE3' ' A' ' 115' ' ' TRP . 75.8 mt -105.49 131.72 52.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 19.2 mttt -81.19 122.13 27.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 39' ' ' LYS . 4.0 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 t-105 -91.41 95.38 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 108.021 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 61.1 m -88.33 128.44 35.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 120.2 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 120.8 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.1 mttt -115.88 173.08 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 87.71 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.07 27.81 27.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.04 158.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.88 133.34 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.8 mp -115.37 158.42 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 128.12 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -124.71 140.51 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.9 mttt -47.09 -45.57 22.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -151.85 174.54 13.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.25 -30.66 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -100.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -43.27 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.88 74.12 1.25 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.88 -6.46 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 25.8 t90 67.77 155.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.71 -56.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.67 -176.61 42.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -137.28 136.55 38.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.764 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.458 HG21 HD13 ' A' ' 102' ' ' LEU . 45.1 t -102.63 129.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 81' ' ' ALA . 5.0 mt -93.2 124.99 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.19 39.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -44.2 -38.47 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.85 58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 123' ' ' LEU . 29.7 m -97.02 156.14 16.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.2 173.94 7.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.541 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.26 134.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' CE ' ' A' ' 70' ' ' LYS . 1.4 pt -112.91 -32.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 20.3 tt0 88.2 157.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' CYS . 1.1 mtp85 -163.14 68.25 1.79 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 4.5 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.505 0.193 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ARG . 5.6 m -141.25 166.73 23.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.8 p90 -148.18 177.84 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.596 ' CE ' HD11 ' A' ' 58' ' ' ILE . 4.3 ttpt -133.47 153.88 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -141.27 110.64 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -119.19 173.88 6.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.3 t-80 -116.9 121.92 32.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.0 mp -51.06 -23.24 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 65.56 56.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -115.54 -80.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.45 147.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -118.0 32.95 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -133.49 150.43 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -95.81 142.37 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.75 -40.79 89.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.16 -161.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -126.51 -145.75 6.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.03 -47.31 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.451 1.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -94.5 32.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.07 51.25 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.39 132.51 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.19 -59.9 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.74 155.06 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.17 -71.63 1.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -141.75 -45.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.92 -54.99 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 11.7 p90 -96.9 176.1 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.908 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -159.84 109.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.9 mm -84.43 133.09 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 14' ' ' LEU . 5.8 mt -132.71 161.98 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 58.6 ttt85 -139.32 132.46 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.527 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -100.92 162.28 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -55.37 35.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -135.09 172.57 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -53.5 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -41.17 -64.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.527 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -48.75 -51.94 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -52.77 -33.31 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -37.02 29.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.659 ' CE3' HD11 ' A' ' 14' ' ' LEU . 43.8 m95 -65.25 -58.13 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.957 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.405 ' O ' HD13 ' A' ' 57' ' ' ILE . 20.7 ptm -56.47 -30.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.91 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.24 -32.1 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' ALA . 12.0 mt -67.07 -69.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 123' ' ' LEU . 35.5 mt-10 -38.28 -37.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.5 mt -74.09 -51.98 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.1 -63.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -54.23 -35.56 62.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.4 mmtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -47.15 146.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 30' ' ' LEU . 66.4 t -85.75 -62.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.6 ptm -162.2 157.18 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.61 127.8 24.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -155.47 170.18 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -89.59 106.95 18.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 115' ' ' TRP . 23.3 mt -109.93 145.58 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.6 mttt -97.1 131.7 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.0 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.603 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.3 t-105 -96.72 95.9 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 29.0 m -88.39 130.24 35.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.85 118.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.22 125.86 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.6 mttm -119.37 173.82 3.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -75.0 87.19 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.887 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.09 26.97 29.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.908 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.46 156.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -120.13 156.07 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.53 126.0 38.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -122.08 146.4 47.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.7 mttt -55.38 -50.12 70.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -145.93 166.53 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -26.31 38.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -77.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.5 t-20 -82.09 53.79 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.82 91.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 8.6 mt-30 -89.58 -3.75 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.744 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 21.6 t90 69.36 147.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.01 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.7 t -124.44 -46.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.5 -178.65 48.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -138.51 137.94 37.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 79' ' ' ILE . 35.9 t -104.89 130.97 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.7 mt -95.01 129.75 41.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.54 38.99 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.84 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.53 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 m -99.1 155.89 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG2' ' CE1' ' A' ' 72' ' ' PHE . 7.4 pt-20 -122.44 176.37 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.75 136.41 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.83 -30.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 1.2 tt0 85.65 148.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -162.61 75.94 2.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 113' ' ' ARG . 10.0 t80 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.554 0.216 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.2 m -129.7 158.39 39.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 1.8 p90 -136.96 -179.84 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 123.87 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -112.93 115.46 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.609 ' CE1' ' HG2' ' A' ' 56' ' ' GLU . 4.6 p90 -120.89 168.67 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' HD13 ' A' ' 75' ' ' LEU . 7.0 t-80 -106.64 121.87 43.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.92 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.4 mp -55.93 -21.29 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.95 53.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -115.76 -79.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -178.52 156.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.98 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -125.96 41.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.3 m95 -137.65 139.88 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -84.16 137.45 33.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.79 -40.32 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.531 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.32 -159.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.85 -145.71 5.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -100.0 48.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.83 92.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -157.98 142.63 16.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -51.75 -56.92 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 89' ' ' ALA . 2.4 t -152.85 164.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.61 -50.88 1.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.507 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -143.16 -49.09 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.03 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 p90 -110.9 -176.72 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.98 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -163.55 123.09 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -100.98 137.43 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -133.63 163.5 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 66.8 ttt180 -138.56 137.0 36.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.23 165.41 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -64.08 -59.35 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 m -121.96 156.74 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.7 tt0 -43.99 -54.18 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -68.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -42.27 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.08 -50.17 9.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.5 mtm180 -57.26 -35.12 69.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.77 -31.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD2' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -71.4 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.527 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 4.3 ppp? -59.4 -22.66 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.9 m-20 -85.75 -57.21 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.9 -43.66 28.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.513 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -41.09 -40.25 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.6 mt -72.05 -53.33 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.07 -63.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -55.93 -34.2 65.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 121' ' ' LEU . 13.1 mmtt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.3 mp -52.58 148.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.678 ' CG1' HD13 ' A' ' 30' ' ' LEU . 74.7 t -87.9 -62.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.53 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.2 ptm -161.17 156.14 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.4 126.44 19.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -155.88 167.29 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -84.78 105.82 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 28' ' ' CYS . 73.5 mt -102.39 157.83 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.647 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.1 mttt -108.5 133.23 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 39' ' ' LYS . 71.2 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' ' CG ' ' A' ' 41' ' ' GLN . 72.2 t-105 -98.89 96.99 8.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 108.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' HB2' HD12 ' A' ' 14' ' ' LEU . 15.1 m -92.6 132.62 36.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.86 119.55 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.74 120.85 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.888 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.5 mttm -115.68 173.1 3.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.02 88.42 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.896 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.56 26.57 32.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.61 156.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.17 134.73 28.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.4 mp -115.58 154.87 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.34 124.19 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -119.22 147.32 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.2 mtpt -54.86 -36.69 65.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -162.55 173.59 13.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.587 ' CG ' ' CD2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -87.4 -46.69 9.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' GLN . 2.2 mmtt -44.47 -93.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.87 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 70.95 1.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.99 -8.62 59.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 23.2 t90 67.79 146.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' CG ' ' A' ' 39' ' ' LYS . 69.1 t -119.65 -52.17 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.16 -179.67 48.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -131.44 150.09 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.426 HG21 HD13 ' A' ' 102' ' ' LEU . 44.2 t -114.51 132.13 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.6 mt -92.76 131.65 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -114.8 40.71 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -44.14 -43.21 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.47 60.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.664 ' CB ' HD21 ' A' ' 71' ' ' LEU . 6.9 m -96.23 161.54 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -124.47 175.45 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.592 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.6 pt -115.19 -34.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER 87.74 149.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 8.0 mtp180 -151.33 72.78 8.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 17.2 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.462 0.172 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.1 m -148.42 172.03 15.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.73 179.03 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.677 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -142.68 143.25 32.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 55' ' ' CYS . 2.9 tt -124.69 112.27 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.7 p90 -119.09 163.84 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 75' ' ' LEU . 7.7 t-80 -106.99 123.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -55.6 -20.69 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 tt0 83.13 28.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -91.71 -171.57 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -100.5 127.44 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.023 HD12 HD12 ' A' ' 102' ' ' LEU . 3.2 pt -92.57 41.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.7 m95 -138.64 149.96 45.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.24 138.85 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.537 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.9 m -68.02 -42.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.7 mtmt -97.14 -164.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -139.65 -148.12 5.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -25.94 11.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.7 mmtt -130.28 58.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.94 70.22 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.4 mt-10 -135.38 129.15 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.37 -57.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -165.07 156.96 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.476 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -87.46 -72.27 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.01 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.416 1.745 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 17.5 t -142.79 -46.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -53.21 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 23.7 p90 -103.01 -178.19 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.023 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -163.64 115.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 70' ' ' LYS . 17.4 mm -88.56 137.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt -136.3 158.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -137.94 138.48 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -108.73 173.29 6.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.92 -60.48 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.93 153.08 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.592 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.6 tt0 -42.51 -37.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -66.4 -59.4 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' SER . 2.0 m-20 -40.73 -60.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.434 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -53.5 -51.38 48.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -49.54 -40.15 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -34.19 67.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.53 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 42.9 m95 -69.11 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.014 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 26.3 ptm -49.76 -31.76 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.52 -54.66 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.34 -47.94 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -51.35 -67.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -35.92 -53.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 40.0 mt -59.17 -53.24 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -39.46 -70.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 55' ' ' CYS . 2.3 pp -53.25 -32.16 47.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.7 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -55.69 167.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.767 ' CG1' HD13 ' A' ' 30' ' ' LEU . 47.2 t -114.93 -58.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.535 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 7.3 ptm -161.74 147.75 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.86 130.52 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 5.8 t70 -155.79 171.44 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.445 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 90.8 m95 -87.51 106.8 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 28' ' ' CYS . 25.3 mt -108.2 151.42 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -104.3 131.36 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.2 t-105 -97.71 98.05 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB2' HD12 ' A' ' 14' ' ' LEU . 10.4 m -93.94 126.32 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 39.0 t -106.09 125.56 61.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -90.94 117.4 29.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' HG23 ' A' ' 34' ' ' VAL . 15.6 mttt -112.95 171.18 4.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 86.53 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.06 26.2 26.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.38 154.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' VAL . 3.2 tp -138.39 134.88 34.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.566 HD13 ' HE3' ' A' ' 31' ' ' LYS . 1.1 mp -116.23 157.23 25.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.65 130.79 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.9 m-85 -128.91 138.6 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 mttt -45.62 -47.21 14.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.3 t -147.91 175.6 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -93.0 -30.56 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.49 -92.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -57.3 -57.81 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.21 76.25 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -82.24 -8.24 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.2 t90 66.53 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 108.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.73 -58.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 178.72 43.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.11 138.64 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 102' ' ' LEU . 46.3 t -105.78 129.92 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -90.32 130.65 36.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 45.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -44.21 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.08 57.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 24.4 m -95.57 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.347 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -128.75 168.2 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.654 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 138.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.705 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -115.38 -33.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 14.5 tt0 85.72 147.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.9 mmm180 -151.62 67.8 7.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.616 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.5 t80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.431 0.157 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.8 m -135.46 168.89 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 12.4 p90 -154.6 179.07 9.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.705 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -143.4 145.38 32.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 57' ' ' ILE . 4.0 tt -125.97 112.85 16.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.498 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.9 p90 -124.19 159.92 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -89.37 128.18 52.16 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.76 5.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.5 4.74 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 42.36 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -125.95 -79.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -178.31 125.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.825 HD12 HD12 ' A' ' 102' ' ' LEU . 3.3 pt -103.33 38.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -138.35 150.22 46.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.933 ' HB1' ' HE3' ' A' ' 83' ' ' LYS . . . -100.12 145.2 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 83' ' ' LYS . 13.1 m -67.77 -41.61 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.933 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -107.44 -167.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -128.67 -145.31 5.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -39.31 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 85' ' ' PRO . 1.6 mptt -106.6 46.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 37.29 58.8 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -120.2 137.41 54.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.61 -58.56 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -164.34 151.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -79.34 -128.16 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.99 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.2 t -139.61 -53.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.2 m -83.37 -49.71 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 7.0 p90 -102.62 179.48 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.825 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -162.93 111.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.448 HD13 ' HB3' ' A' ' 70' ' ' LYS . 2.9 mm -89.46 135.63 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt -135.44 163.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 104' ' ' ILE . 4.6 ttt180 -137.78 137.96 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.426 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -109.05 179.87 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -77.68 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -118.93 163.09 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -43.13 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -63.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.18 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -49.07 -46.72 33.29 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 16.7 mmt180 -55.12 -39.01 68.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -40.52 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.535 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 45.9 m95 -60.85 -65.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.494 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 2.2 ppp? -54.2 -22.37 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.2 m-20 -81.69 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.37 -51.67 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -40.85 -65.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -44.73 -41.35 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 118' ' ' ALA . 21.1 mt -67.56 -52.58 37.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -54.31 -33.49 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 121' ' ' LEU . 5.9 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -51.7 148.77 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 30' ' ' LEU . 76.4 t -88.79 -63.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.5 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.1 ptm -160.55 155.49 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -137.65 125.76 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -155.88 161.78 40.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -81.4 111.1 17.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 104' ' ' ILE . 98.4 mt -107.4 146.46 31.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.8 mttt -96.88 130.68 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.44 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.9 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 70.8 t-105 -96.77 97.72 9.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 13.7 m -91.98 131.47 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.84 119.36 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.75 119.45 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 34' ' ' VAL . 7.9 mttt -113.82 173.33 2.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 86.37 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.9 27.63 28.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.63 152.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' THR . 3.7 tp -134.93 137.95 43.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.2 mp -119.32 149.78 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.78 122.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 90.0 m-85 -119.37 149.59 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.0 mtpt -52.03 -42.7 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -157.8 175.02 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.37 -33.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.66 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.62 94.12 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.9 mt-30 -107.45 -5.04 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 62.87 158.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.07 -56.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 -179.27 41.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.0 m -139.46 146.42 40.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 102' ' ' LEU . 61.6 t -114.53 133.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.01 138.04 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -120.8 58.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -80.18 -22.1 42.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.65 46.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.976 ' HB3' HD11 ' A' ' 71' ' ' LEU . 65.3 m -94.24 136.04 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.919 ' O ' HD13 ' A' ' 71' ' ' LEU . 37.1 mt-10 -118.99 149.8 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -108.68 135.82 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 70' ' ' LYS . 1.8 pt -113.86 -29.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.5 tt0 86.67 159.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.439 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 7.1 mtp180 -171.71 85.68 0.47 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 5.3 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ARG . 14.6 m -147.79 163.16 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -135.92 167.66 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -128.35 117.09 20.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -108.18 116.71 32.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 71' ' ' LEU . 21.7 p90 -118.67 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 2.6 t-80 -126.78 116.95 22.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.97 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.5 mp -46.31 -25.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 74' ' ' PRO . 20.4 mt-10 64.48 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -116.46 -85.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.4 t 179.23 123.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.046 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -90.89 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -143.74 146.21 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.78 143.47 31.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.591 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.5 m -58.39 -33.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -127.73 -134.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.38 -145.68 4.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.43 74.87 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -141.64 127.5 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.2 -62.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.8 t -147.04 163.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.82 -56.04 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.02 -179.35 4.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -128.33 -40.65 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -52.87 4.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 12.5 p90 -102.85 -179.21 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.37 109.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.1 mm -90.62 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.629 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -134.94 154.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -130.83 134.41 46.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.44 167.48 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -66.11 -62.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -118.37 144.78 45.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 14.9 tt0 -37.98 -48.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.2 -55.85 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.066 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.14 -57.57 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.1 -48.78 61.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.7 mtm180 -55.07 -33.58 62.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -33.64 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 14' ' ' LEU . 33.8 m95 -67.83 -60.2 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.025 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 57' ' ' ILE . 3.3 ppp? -57.01 -23.43 46.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 3.9 m-20 -85.0 -56.5 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.36 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.0 mt -57.08 -69.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -37.23 -49.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -63.95 -50.57 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -40.8 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -53.17 -29.72 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.3 mp -53.41 147.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 30' ' ' LEU . 79.8 t -84.49 -63.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.56 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -162.84 156.76 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.727 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.31 127.26 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.01 169.89 23.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -85.51 112.63 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD13 HG21 ' A' ' 104' ' ' ILE . 82.3 mt -111.89 160.53 17.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.505 ' C ' HD12 ' A' ' 16' ' ' ILE . 14.5 mttt -120.46 123.62 43.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.582 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 39' ' ' LYS . 67.8 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.727 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.8 t-105 -99.77 96.63 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' A' ' 14' ' ' LEU . 23.3 m -92.61 125.35 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.05 119.65 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD12 ' CE3' ' A' ' 115' ' ' TRP . 1.1 tt -86.4 122.85 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.873 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.8 mttm -117.29 171.53 4.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.886 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.29 24.91 30.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.18 157.18 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tp -141.55 133.3 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.9 mp -114.36 160.47 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.43 130.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -124.52 142.63 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.1 mtpt -52.26 -42.29 63.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.2 t -155.33 166.35 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -46.46 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -94.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.75 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' H ' HG23 ' A' ' 40' ' ' THR . . . 74.56 75.92 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.123 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.75 -5.15 59.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.3 t90 67.98 146.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.008 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 39' ' ' LYS . 22.7 t -118.45 -55.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.89 -175.68 41.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 141.36 46.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 102' ' ' LEU . 49.0 t -103.3 128.75 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.2 mt -90.5 128.01 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -113.21 51.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.98 -33.78 71.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.65 58.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' HD13 ' A' ' 123' ' ' LEU . 20.6 m -97.44 156.09 16.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.22 170.25 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.01 136.44 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.71 -31.47 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 28.0 tt0 87.49 154.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.245 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.9 mtt-85 -168.06 81.02 0.82 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.97 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.525 0.202 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.6 m -147.45 170.13 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 9.9 p90 -149.71 179.4 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 103' ' ' ILE . 8.7 ttpt -134.37 154.63 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 57' ' ' ILE . 5.1 tt -139.37 109.17 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -122.1 159.63 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.9 t-80 -100.33 122.3 50.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.83 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.2 mp -50.37 -33.27 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.08 52.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -112.1 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -175.21 155.74 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.036 HD12 HD12 ' A' ' 102' ' ' LEU . 2.1 pt -125.84 34.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -136.79 150.57 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.026 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.851 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -105.1 138.37 41.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.587 HG23 ' HE2' ' A' ' 83' ' ' LYS . 34.3 m -64.81 -43.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -96.08 -165.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -136.9 -147.87 5.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -118.08 53.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . . . 37.75 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -164.3 131.27 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.81 -53.91 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -168.21 159.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.39 -104.02 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.01 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.72 -44.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.96 -53.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 2.1 p90 -90.56 166.62 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.036 HD12 HD12 ' A' ' 79' ' ' ILE . 1.6 mt -155.12 109.88 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.9 mm -85.43 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.763 HG21 HD13 ' A' ' 14' ' ' LEU . 5.4 mt -136.49 145.6 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -123.71 137.75 54.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' ' OD2' ' A' ' 111' ' ' ASP . . . -104.83 -176.17 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -48.95 8.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.29 157.85 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -39.16 -57.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.67 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.562 ' OD2' ' HB1' ' A' ' 106' ' ' ALA . 35.3 t70 -40.3 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.33 -55.01 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.48 -30.38 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -34.02 37.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.585 ' CE3' HD12 ' A' ' 30' ' ' LEU . 47.0 m95 -70.21 -65.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.434 ' HB2' HG21 ' A' ' 57' ' ' ILE . 23.9 ptm -50.32 -27.46 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -82.3 -58.69 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.91 -35.61 6.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.56 -67.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 39.0 mt-10 -39.6 -38.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 124' ' ' LYS . 23.7 mt -75.12 -51.34 13.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.47 -60.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 120' ' ' GLU . 1.4 pp -58.61 -33.97 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -47.5 147.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.98 -63.74 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.676 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -154.54 162.53 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.757 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.99 121.91 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.11 171.15 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.31 117.18 25.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 107.994 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 115' ' ' TRP . 82.3 mt -118.12 147.56 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -102.03 125.53 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 39' ' ' LYS . 47.3 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.757 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.6 t-105 -96.3 99.27 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' HD12 ' A' ' 14' ' ' LEU . 35.4 m -91.81 136.75 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.11 119.91 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -85.89 125.64 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 34' ' ' VAL . 4.7 mttt -118.62 174.75 2.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.96 84.28 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.894 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.94 27.53 23.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.86 155.06 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tp -138.25 139.15 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 2.5 mp -120.09 156.46 30.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.09 125.72 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.78 150.6 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.651 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.4 mtpt -54.99 -39.99 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -161.01 173.01 15.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.65 -27.72 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -72.03 -92.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -47.24 -55.97 7.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.587 ' H ' HG23 ' A' ' 40' ' ' THR . . . 67.6 90.82 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.1 mt-30 -109.13 -3.94 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.8 t90 61.25 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.16 -56.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.6 173.35 46.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.9 m -123.75 148.22 46.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -110.75 129.78 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.4 mt -90.8 132.3 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -117.78 45.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -47.04 -40.67 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.0 60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 123' ' ' LEU . 6.9 m -96.71 157.92 15.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.86 168.22 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.25 133.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.34 -28.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HB2' ' CE ' ' A' ' 116' ' ' MET . 12.4 tt0 82.33 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 71.95 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.95 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.9 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.533 0.206 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.77 169.2 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.4 p90 -150.53 178.89 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 130.23 23.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.532 HD12 HD12 ' A' ' 57' ' ' ILE . 4.5 tt -115.93 109.35 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -116.02 166.41 12.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.9 t-80 -111.35 124.02 33.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.6 tt0 81.83 33.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 36.8 mm-40 -93.17 -172.74 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m -103.51 119.71 39.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.035 HD12 HD12 ' A' ' 102' ' ' LEU . 3.7 pt -85.67 49.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.603 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.1 m95 -147.56 146.83 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.747 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -99.39 135.34 40.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.2 m -64.52 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -99.6 -164.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.39 -150.68 6.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -20.77 16.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 87' ' ' GLY . 9.0 mmtp -131.86 57.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 30.24 67.52 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.563 1.164 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -130.94 129.66 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.99 -51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -169.23 158.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -84.3 -83.18 0.98 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.603 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.96 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.539 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.6 t -134.29 -44.58 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -54.4 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.8 p90 -101.94 -176.13 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.035 HD12 HD12 ' A' ' 79' ' ' ILE . 1.5 mt -165.4 110.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -90.0 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -132.65 161.94 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 104' ' ' ILE . 62.4 ttt-85 -134.0 129.26 35.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.15 176.78 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.32 -59.82 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -131.47 164.59 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -41.07 -52.55 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -47.89 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -69.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.91 -48.02 14.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.2 mmt180 -54.97 -38.29 67.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.357 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -40.0 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.281 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.9 m95 -62.45 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.499 ' HB2' HG21 ' A' ' 57' ' ' ILE . 1.6 ppp? -54.46 -20.52 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 116' ' ' MET . 16.5 m-20 -85.03 -60.11 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.498 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -48.43 -46.01 37.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.6 mt -50.88 -69.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -37.25 -52.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.04 -54.03 49.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.32 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.9 pp -53.22 -33.62 53.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mttm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -53.72 168.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.791 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 30' ' ' LEU . 43.0 t -115.37 -59.84 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 7.1 ptm -160.24 148.13 16.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.86 130.82 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -156.21 171.61 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -89.11 106.0 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 28' ' ' CYS . 23.9 mt -107.86 160.65 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.7 mttt -110.65 122.67 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.0 t-105 -99.75 96.82 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 14' ' ' LEU . 14.5 m -88.68 128.57 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 35' ' ' LEU . 38.5 t -111.91 121.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -87.49 117.98 26.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.879 ' HB3' HG23 ' A' ' 34' ' ' VAL . 17.4 mttt -112.49 171.3 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -75.09 86.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.891 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.85 25.57 26.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.21 161.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.1 tp -144.92 136.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 38' ' ' TYR . 2.0 mp -117.46 153.78 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.02 122.33 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 36' ' ' LEU . 55.0 m-85 -120.75 148.55 43.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HA ' HD22 ' A' ' 26' ' ' LEU . 8.1 mttt -52.47 -40.87 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -157.87 173.86 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.544 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.34 -29.13 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -67.27 -102.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.53 93.77 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -106.88 -4.14 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.8 t90 64.15 155.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.4 t -133.25 -56.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.22 176.11 43.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -133.38 142.63 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 102' ' ' LEU . 32.2 t -108.88 133.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 34' ' ' VAL . 6.9 mt -97.58 129.16 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 mt -101.54 51.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.705 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.4 m120 -73.29 59.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 84.3 50.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 73.8 m -94.55 144.97 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -116.79 164.29 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -119.43 139.15 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.712 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.2 pt -113.61 -32.55 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.6 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 21.3 tt0 85.07 151.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -154.29 68.35 5.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.541 1.811 . . . . 0.0 110.969 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 9.7 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.495 0.188 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.4 m -146.85 166.55 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.3 p90 -148.89 -179.2 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.712 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -145.75 141.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 HD12 ' A' ' 57' ' ' ILE . 2.8 tt -121.82 119.08 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 50.7 p90 -127.72 173.37 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 11.7 t-80 -109.44 131.08 22.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -74.98 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 mp -60.67 -19.05 57.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 67.26 59.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -115.12 -93.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -163.99 137.32 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.746 HD12 HD12 ' A' ' 102' ' ' LEU . 7.2 pt -107.68 35.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.491 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.5 m95 -132.77 138.89 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.35 141.07 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.704 HG23 ' HE2' ' A' ' 83' ' ' LYS . 14.4 m -57.78 -34.15 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.704 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -128.57 -133.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.67 -147.44 4.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -75.01 -48.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.11 40.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.42 75.75 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ALA . 7.1 mt-10 -144.32 133.41 22.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.66 -56.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.524 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.1 p -168.6 166.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -116.59 -71.32 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.532 ' CB ' ' CD ' ' A' ' 98' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 7.1 t -145.23 -50.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -81.94 -44.52 16.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 22.7 p90 -113.39 -174.87 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 79' ' ' ILE . 2.1 mt -163.73 115.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.673 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.8 mm -95.66 134.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.3 mt -133.46 162.36 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttt180 -136.62 134.28 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -106.54 158.88 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -118.04 152.91 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.594 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.8 tt0 -40.93 -60.81 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' ASP . 67.3 m -43.29 -62.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' SER . 26.2 t0 -39.9 -65.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.466 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.87 -40.74 42.84 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -58.6 -43.42 89.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -29.82 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.531 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 49.3 m95 -73.36 -62.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.5 ppp? -57.65 -21.04 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.7 m-20 -85.27 -60.52 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.03 -52.25 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.403 HD13 HD11 ' A' ' 57' ' ' ILE . 8.5 mt -40.35 -64.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.7 -39.91 12.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 118' ' ' ALA . 27.1 mt -68.17 -53.86 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 121' ' ' LEU . . . -39.82 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -52.17 -35.89 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 121' ' ' LEU . 15.8 mttt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -47.29 143.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG1' HD13 ' A' ' 30' ' ' LEU . 75.4 t -85.08 -62.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.545 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.4 ptm -161.5 156.86 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.519 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.99 127.81 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -155.52 168.38 27.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -87.76 106.2 17.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD13 HG21 ' A' ' 104' ' ' ILE . 51.0 mt -106.28 138.58 42.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' HD12 ' A' ' 16' ' ' ILE . 5.4 mttt -91.76 135.82 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.5 t-105 -97.75 100.05 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 14' ' ' LEU . 62.0 m -91.68 127.92 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.41 118.09 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -86.25 120.94 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.3 mttp -114.12 174.64 2.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.0 87.22 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.899 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.98 26.7 33.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.81 147.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.52 142.1 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -122.86 156.01 35.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.94 122.23 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 36' ' ' LEU . 84.9 m-85 -120.76 145.17 47.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.4 mtpt -51.12 -45.02 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -150.82 164.13 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.19 -48.26 36.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -87.51 63.73 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.67 90.78 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.6 -2.44 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.612 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.6 t90 67.69 139.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.75 -48.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.23 164.24 32.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -119.67 145.61 46.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 102' ' ' LEU . 62.1 t -112.0 130.13 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 81' ' ' ALA . 15.5 mt -89.86 134.61 34.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -121.65 48.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -56.57 -40.06 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -171.04 58.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.606 ' O ' HD13 ' A' ' 123' ' ' LEU . 28.3 m -96.09 161.75 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -131.3 167.56 19.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.29 139.66 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -117.59 -33.43 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 6.9 tt0 88.2 145.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -155.62 71.0 5.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.8 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.51 0.195 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.35 162.73 32.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.5 p90 -146.31 176.92 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.65 130.02 23.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 57' ' ' ILE . 5.3 tt -115.75 110.6 19.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.525 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 34.2 p90 -119.87 169.1 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.6 t-80 -104.5 124.53 36.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.64 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 75' ' ' LEU . 3.5 mp -69.67 -7.86 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 3.5 mt-10 71.63 36.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -93.29 -172.08 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -102.54 114.22 28.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 102' ' ' LEU . 3.8 pt -83.02 50.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.641 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -149.96 135.61 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -70.64 144.25 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.504 HG23 ' HE3' ' A' ' 83' ' ' LYS . 24.2 m -61.41 -33.14 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -126.55 -129.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -148.05 -146.47 4.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.04 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.99 49.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.31 75.18 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -140.09 131.61 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.74 -54.74 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -166.79 150.4 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.515 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -77.29 -110.46 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.02 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 36.5 t -145.15 -48.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -82.49 -42.43 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.564 ' O ' HD11 ' A' ' 79' ' ' ILE . 27.7 p90 -116.25 -174.46 2.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.4 123.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 15.1 mm -98.76 135.42 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 14' ' ' LEU . 4.9 mt -135.9 145.47 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttm-85 -119.9 131.19 55.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.06 169.6 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -70.41 -62.11 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.93 166.64 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -48.87 51.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.1 m -53.8 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' SER . 1.0 OUTLIER -39.81 -65.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.01 -47.37 48.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 8.1 mmm180 -55.18 -37.48 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -37.31 58.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 42.2 m95 -64.76 -62.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.451 ' O ' HD13 ' A' ' 57' ' ' ILE . 2.1 ppp? -56.37 -23.09 35.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 116' ' ' MET . 32.1 m-20 -82.47 -64.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.57 -43.75 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mt -52.39 -65.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.574 ' HA ' HD21 ' A' ' 123' ' ' LEU . 42.1 mt-10 -42.51 -37.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 124' ' ' LYS . 28.8 mt -74.73 -52.68 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -54.79 -36.92 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -48.34 156.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 30' ' ' LEU . 10.5 t -102.02 -63.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.674 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.61 155.86 42.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.953 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.48 119.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' HB2' ' SD ' ' A' ' 10' ' ' MET . 1.1 t0 -156.48 168.42 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -85.56 109.78 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.985 HD11 ' CD2' ' A' ' 115' ' ' TRP . 38.2 mt -108.39 144.07 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.2 mttt -98.19 135.71 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 85.2 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.953 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 62.5 t-105 -101.24 97.24 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB2' HD12 ' A' ' 14' ' ' LEU . 65.8 m -90.93 132.29 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.58 118.35 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -85.46 127.2 34.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.944 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.0 mttt -119.1 175.33 2.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.95 26.73 25.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.944 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.53 151.6 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 49' ' ' THR . 3.6 tp -132.02 147.59 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.1 mp -127.47 151.42 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 125.18 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.7 m-85 -123.29 146.55 47.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.0 mtpt -53.44 -38.83 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.7 t -159.92 175.67 12.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.432 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.95 -29.37 17.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -63.68 -98.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.28 -63.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 70.71 1.28 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.37 -7.28 59.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.7 t90 67.9 156.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 66.1 t -131.23 -51.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.69 175.35 47.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.3 m -132.07 145.91 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.522 HG21 HD13 ' A' ' 102' ' ' LEU . 43.9 t -111.66 130.27 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -90.26 130.45 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 53.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.58 -35.63 80.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.13 58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.655 ' O ' HD13 ' A' ' 123' ' ' LEU . 27.6 m -97.4 149.26 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 27.3 mp0 -117.64 174.18 6.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -133.02 138.59 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -118.34 -32.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.2 tt0 89.48 151.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' CYS . 2.4 mtm-85 -163.58 88.41 1.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 113' ' ' ARG . 5.1 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.492 0.187 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' ARG . 73.0 m -144.86 160.63 40.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -138.17 173.47 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -131.79 137.86 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.1 tt -126.71 109.88 12.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -114.22 168.1 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.1 t-80 -119.68 124.82 27.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.39 -26.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 64.94 56.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -109.33 -91.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t -173.17 120.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.74 ' CD1' HD12 ' A' ' 102' ' ' LEU . 4.0 pt -91.82 40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -138.26 139.16 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.12 145.13 40.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.71 HG23 ' HE2' ' A' ' 83' ' ' LYS . 2.7 m -63.73 -29.33 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.71 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -129.81 -132.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.31 -146.27 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 48.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.96 81.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.56 136.96 28.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.56 -58.07 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -165.2 152.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.06 -108.31 0.41 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.465 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.5 Cg_endo -74.94 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.1 t -136.8 -55.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -82.28 -53.94 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 4.7 p90 -96.46 177.25 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.74 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.7 mt -161.65 119.96 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mm -97.85 134.7 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 14' ' ' LEU . 3.6 mt -133.37 153.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -129.5 132.92 47.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.87 157.34 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -66.21 -56.48 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.66 142.41 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 16.0 tt0 -38.81 -50.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.39 -62.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -45.36 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.59 -51.02 10.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 67' ' ' PHE . 5.4 mtm180 -56.9 -33.31 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -38.14 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.985 ' CD2' HD11 ' A' ' 14' ' ' LEU . 48.7 m95 -63.92 -57.73 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.471 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.6 ppp? -61.35 -23.01 65.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 9.4 m-20 -83.29 -62.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.51 11.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.09 -68.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.645 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -39.08 -38.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 124' ' ' LYS . 20.2 mt -73.19 -56.53 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.34 -63.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -53.82 -36.23 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.0 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.86 145.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 30' ' ' LEU . 73.3 t -83.14 -63.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.55 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -161.95 157.33 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.48 127.6 22.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.04 169.15 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -85.38 106.18 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.617 HD13 HG21 ' A' ' 104' ' ' ILE . 61.3 mt -108.04 137.2 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 tttt -95.37 131.6 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 39' ' ' LYS . 40.4 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.5 t-105 -97.93 98.51 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.1 m -93.27 128.58 39.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.8 119.89 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.564 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 121.61 29.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.903 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.6 mttt -115.78 172.79 3.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.69 25.73 31.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -167.26 152.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -135.19 138.48 43.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -119.8 159.11 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.47 132.03 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.462 ' OH ' HD22 ' A' ' 36' ' ' LEU . 70.9 m-85 -129.29 139.76 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 26' ' ' LEU . 5.8 mttt -45.59 -41.62 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.5 t -156.72 175.95 13.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.04 -35.52 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -53.84 -68.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.99 78.86 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.22 -6.29 48.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 25.4 t90 68.23 149.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.7 -54.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.46 47.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.2 m -128.71 137.91 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 60.8 t -104.51 127.43 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.0 mt -90.68 135.06 33.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -116.92 52.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -55.95 -39.3 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.53 63.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.55 ' O ' HD13 ' A' ' 123' ' ' LEU . 26.5 m -100.73 152.69 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -119.19 174.02 6.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -131.04 132.03 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -113.02 -32.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER 89.5 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -156.8 70.36 4.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 2.8 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.4 m -142.42 162.22 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.5 p90 -138.43 173.38 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 135.72 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.3 tt -121.75 112.8 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -118.03 168.02 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 5.5 t-80 -116.31 123.64 30.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.2 Cg_endo -74.98 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 8.8 mp -46.32 -26.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' PRO . 26.1 mt-10 65.78 59.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -115.84 -81.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.85 125.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.769 HD12 HD12 ' A' ' 102' ' ' LEU . 4.8 pt -96.4 40.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.609 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.5 m95 -138.35 151.18 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.949 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.63 139.42 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.768 HG23 ' HE3' ' A' ' 83' ' ' LYS . 29.3 m -66.87 -37.6 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.768 ' HE3' HG23 ' A' ' 82' ' ' VAL . 1.9 mtmt -103.38 -166.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.512 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.09 -147.0 6.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.02 -47.8 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -32.93 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.43 58.93 0.26 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.6 mp0 -129.61 140.23 51.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 0.722 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.49 -53.71 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.2 p -168.19 150.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.478 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.89 -103.48 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.609 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.1 Cg_endo -75.05 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 14.7 t -135.29 -46.6 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.46 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 19.2 p90 -101.29 -177.3 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.96 110.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.19 136.03 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HD13 ' A' ' 14' ' ' LEU . 4.1 mt -135.32 145.46 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' LYS . 32.9 ttt85 -121.46 128.04 51.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.97 171.27 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -68.43 -60.76 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.6 153.19 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.8 tt0 -38.67 -54.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -46.99 -64.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.24 -68.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.68 -50.59 10.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -53.92 -34.41 59.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -38.69 54.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.262 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.55 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 44.2 m95 -63.29 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.629 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -47.76 -32.31 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.28 -56.55 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.01 -43.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -56.19 -68.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -35.58 -50.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.69 -51.88 65.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.64 -68.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -52.46 -34.6 49.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 95.04 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.67 77.77 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.94 -61.86 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -179.05 -57.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.024 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -100.27 163.65 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.95 -49.17 81.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.42 147.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 30' ' ' LEU . 79.3 t -89.43 -64.31 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.513 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.0 ptm -159.6 156.43 27.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.773 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.51 129.34 24.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -155.96 164.92 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.555 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 88.1 m95 -85.51 106.22 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD21 ' NE1' ' A' ' 115' ' ' TRP . 31.3 mt -105.42 150.24 25.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' C ' HD12 ' A' ' 16' ' ' ILE . 3.4 mttt -96.85 136.89 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -110.95 145.96 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -37.39 124.05 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.95 81.81 1.38 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.45 HG23 HD13 ' A' ' 20' ' ' LEU . 7.1 t -76.91 -22.49 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD21 ' HB3' ' A' ' 95' ' ' GLN . 1.2 mm? -78.67 -51.37 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.72 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -134.95 140.18 45.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 37.5 m95 -46.48 144.08 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -108.08 120.98 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.4 tttt -86.35 93.89 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' HA ' ' A' ' 39' ' ' LYS . 72.8 mt -96.11 168.81 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.773 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.4 t-105 -98.4 98.39 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 14' ' ' LEU . 25.5 m -93.92 132.36 38.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.2 t -114.87 119.8 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 HG11 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -85.86 116.63 24.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.925 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.8 mttt -110.78 173.41 2.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 89.66 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.888 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.21 27.18 34.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.925 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -167.74 158.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.723 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tp -139.18 136.05 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -115.85 154.76 29.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.35 130.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' ' 36' ' ' LEU . 96.4 m-85 -130.08 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.6 mttt -51.17 -42.61 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 2.7 t -156.1 175.16 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.95 -31.71 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -58.36 -87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.33 -66.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.74 68.56 1.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -78.58 -9.46 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 29.5 t90 67.16 145.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.77 -55.46 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 173.54 46.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -125.45 143.51 50.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 0.726 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.637 HG21 HD13 ' A' ' 102' ' ' LEU . 49.1 t -113.23 135.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 81' ' ' ALA . 17.6 mt -98.63 137.09 37.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 47.72 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -51.82 -36.97 49.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.04 58.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.59 ' O ' HD13 ' A' ' 123' ' ' LEU . 17.7 m -97.78 159.13 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -126.97 166.8 16.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.549 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -117.89 138.89 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.84 -31.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' CG ' ' HE3' ' A' ' 116' ' ' MET . 11.4 tt0 84.11 155.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -164.16 67.21 1.45 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -8.31 19.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m 53.36 174.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -133.83 100.44 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -171.04 72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.95 -111.84 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.2 t80 -160.12 135.57 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.73 173.84 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.3 p90 -156.65 179.48 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -141.79 127.77 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -111.89 111.87 23.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 37.5 p90 -122.92 173.84 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -106.7 127.56 27.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.97 6.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -91.54 25.23 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.5 mt-10 36.49 90.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.26 -173.91 3.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 p -98.03 108.43 21.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 102' ' ' LEU . 3.1 pt -84.27 49.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 99.3 m95 -147.85 137.78 22.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -74.99 143.65 43.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.646 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.6 m -58.26 -33.35 47.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -127.19 -134.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.574 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.74 -145.25 4.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.94 -50.34 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -97.08 40.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 44.8 64.52 2.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -130.89 131.92 44.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 110.354 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -42.88 -60.82 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.6 t -149.39 156.76 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.49 -66.16 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.26 169.87 11.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -118.47 93.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 95' ' ' GLN . 5.9 t -116.35 -161.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.863 ' HB3' HD21 ' A' ' 20' ' ' LEU . 1.2 pt20 -42.39 159.99 0.19 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.0 40.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.84 165.83 32.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.99 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 23.0 t -141.47 -44.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -55.06 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 9.8 p90 -97.05 178.93 5.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 79' ' ' ILE . 1.7 mt -163.04 110.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 70' ' ' LYS . 4.5 mm -87.75 132.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.3 mt -132.66 160.86 42.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 21.1 ttt-85 -135.95 139.37 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.13 177.37 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -66.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 m -117.64 154.74 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -43.15 -40.72 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.2 m -58.49 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.59 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.365 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.69 -46.09 59.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -55.88 -35.17 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -35.26 55.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.551 ' NE1' HD21 ' A' ' 14' ' ' LEU . 47.5 m95 -67.38 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 107.999 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.483 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.9 ppp? -55.0 -22.79 16.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 116' ' ' MET . 30.3 m-20 -82.72 -60.62 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.1 34.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -45.58 -60.27 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.517 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.8 mt-10 -47.45 -39.68 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' SER . 27.3 mt -71.2 -53.49 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.01 -63.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -53.79 -36.08 62.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 121' ' ' LEU . 11.0 mmtt -86.28 12.65 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -111.09 -24.03 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.12 163.24 1.29 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.1 m 46.08 77.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.36 160.25 14.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.34 132.26 48.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -104.27 160.53 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.78 75.85 0.31 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.1 -66.71 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 -63.54 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -49.53 146.25 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.7 HG11 HD13 ' A' ' 30' ' ' LEU . 59.9 t -86.72 -64.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.8 ptm -160.27 157.08 27.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.1 128.98 23.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -155.86 170.37 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.6 m95 -87.44 109.77 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 HG21 ' A' ' 104' ' ' ILE . 19.3 mt -112.67 135.83 52.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.418 1.074 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -88.58 132.06 34.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -103.35 144.18 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.92 135.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.34 56.72 2.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -41.41 -49.07 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -65.56 -69.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -147.29 -54.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 p -121.63 157.35 31.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 32.1 m95 -59.37 159.52 7.84 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.7 m -125.38 123.75 40.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.3 tttt -84.45 94.36 8.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.5 mt -100.93 169.56 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -99.56 97.29 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 12.8 m -91.2 134.79 34.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.346 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.81 119.64 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD13 HG11 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -86.1 116.18 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.896 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.3 mttt -112.28 172.41 3.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 89.68 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.23 26.77 35.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.52 157.05 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.91 136.21 32.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.2 mp -116.88 155.82 28.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.81 126.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -124.93 139.18 54.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.4 mttt -46.6 -49.27 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -148.3 172.29 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.486 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -89.63 -28.91 19.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -46.91 -67.14 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.96 88.59 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.53 -6.18 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 67.9 152.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.43 -56.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.05 169.16 41.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 m -120.79 137.04 54.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.535 HG21 HD13 ' A' ' 102' ' ' LEU . 45.9 t -104.6 128.04 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.82 130.84 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.01 49.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -34.86 64.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -178.53 62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.74 ' O ' HD13 ' A' ' 123' ' ' LEU . 33.5 m -99.67 163.83 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 108.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -132.68 174.96 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.771 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.72 142.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pp -123.51 -35.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.6 tt0 91.82 153.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -166.54 74.16 1.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.39 16.74 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m 52.82 -179.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.949 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -71.42 85.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 3.6 mmtm 60.39 114.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 64' ' ' LYS . 5.4 m-20 168.68 71.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.99 -100.02 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.8 t80 -177.69 126.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 69.4 m -140.83 163.11 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 108.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.1 p90 -143.52 176.23 9.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -135.37 130.14 34.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 57' ' ' ILE . 4.8 tt -120.19 110.48 16.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -117.32 168.61 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.7 t-80 -112.27 121.5 39.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.03 -26.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 65.21 60.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -117.2 -82.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -170.15 141.25 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 HD12 ' A' ' 102' ' ' LEU . 1.6 pt -117.23 25.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -132.66 143.17 49.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.014 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.05 159.17 27.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.717 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.6 m -74.27 -33.59 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.717 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -126.59 -133.54 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -146.46 -144.93 4.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.05 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.09 35.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.24 60.36 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.4 133.2 50.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.58 -60.12 2.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.91 156.21 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.18 -68.65 1.0 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.48 171.25 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.6 mt -106.73 119.97 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.3 p -141.35 -168.84 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.938 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -40.77 159.19 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.925 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 -23.02 14.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 52.27 178.14 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.96 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 m -139.75 -46.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 p -92.59 -55.35 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 21.9 p90 -95.54 177.81 5.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -159.18 110.33 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 18.9 mm -84.15 137.19 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.3 mt -135.68 163.54 34.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.466 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttm180 -135.25 139.16 44.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.41 168.33 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.28 -64.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.12 168.38 10.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.38 -54.1 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' ASP . 19.2 m -51.21 -59.64 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . 4.1 m-20 -40.14 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.28 -53.1 8.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -49.88 -35.4 23.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -38.06 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.551 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 37.8 m95 -64.3 -65.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 107.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.52 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -51.08 -27.16 7.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -79.45 -62.42 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.29 -35.45 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.444 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -61.87 -69.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.735 ' HA ' HD21 ' A' ' 123' ' ' LEU . 52.9 mt-10 -38.65 -37.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 124' ' ' LYS . 18.9 mt -75.97 -53.14 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -59.34 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -56.29 -33.97 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.8 mmtm -86.67 12.91 9.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.65 -32.08 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.01 176.51 23.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.39 22.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -175.59 165.42 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.5 m -143.5 100.75 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t 66.0 81.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -172.03 133.08 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 90.45 0.11 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.5 85.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.94 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -70.22 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.464 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.2 mp -52.76 149.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.601 ' CG1' HD13 ' A' ' 30' ' ' LEU . 72.4 t -91.42 -62.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.536 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.3 ptm -160.4 157.19 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.84 127.66 21.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -155.72 169.08 25.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.532 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.3 m95 -87.85 106.3 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 107.96 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD13 HG21 ' A' ' 104' ' ' ILE . 43.1 mt -106.12 141.88 36.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.0 mttt -93.13 130.97 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -107.68 152.02 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 4.0 ttt85 -40.01 128.48 2.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 23' ' ' TRP . . . -92.84 167.07 29.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -151.35 -51.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD23 ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -55.35 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -114.7 -46.74 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 t -155.08 -173.71 4.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.497 ' CE2' ' HA ' ' A' ' 17' ' ' ARG . 11.4 m95 -64.61 160.3 20.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.0 m -113.05 126.0 55.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -91.69 90.47 7.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.4 mt -93.5 169.51 10.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.2 t-105 -95.98 97.93 9.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' HD12 ' A' ' 14' ' ' LEU . 48.2 m -90.66 135.42 33.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -119.29 118.85 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.04 120.08 27.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.905 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.4 mttm -113.11 173.95 2.58 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -74.99 87.04 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.897 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.39 25.73 32.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.905 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.1 m -167.45 153.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -134.66 142.05 46.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 0.5 OUTLIER -122.01 155.98 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.69 126.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 87.4 m-85 -124.39 144.68 49.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 26' ' ' LEU . 17.7 mttt -50.67 -52.95 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.39 -40.9 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' GLN . 6.5 mmtt -39.63 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 2.9 p30 -88.7 -54.56 4.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' N ' ' OD1' ' A' ' 43' ' ' ASN . . . 77.6 88.22 0.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.38 -4.42 58.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.4 t90 68.15 153.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 107.963 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.0 t -129.75 -53.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.32 176.32 45.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.578 1.174 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -133.33 142.06 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 47.5 t -111.1 129.55 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 34' ' ' VAL . 12.7 mt -96.57 134.93 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -108.09 54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.687 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 67.6 m-80 -70.95 59.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 83.32 53.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 74.1 m -97.19 156.69 16.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -125.87 165.45 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.64 139.32 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.3 pt -114.56 -32.22 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.0 tt0 84.94 149.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 3.6 mtm180 -158.05 69.2 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.17 20.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m 57.96 177.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -46.14 -64.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -152.77 116.8 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 176.77 60.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.19 -99.12 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.4 t80 -174.86 138.42 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -149.88 167.92 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.266 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.43 176.54 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -140.38 129.12 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.594 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -113.52 115.73 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' HE1' HG23 ' A' ' 58' ' ' ILE . 55.1 p90 -120.15 170.28 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 75' ' ' LEU . 8.9 t-80 -107.49 126.71 29.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -40.36 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 73' ' ' HIS . 5.8 mp -59.54 -18.95 44.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.99 53.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.61 -84.75 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -174.02 145.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 102' ' ' LEU . 3.6 pt -116.04 49.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.674 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.0 m95 -146.52 138.72 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -76.29 146.6 38.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.536 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.8 m -64.79 -32.85 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.536 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -125.04 -129.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -148.65 -145.54 4.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.96 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -93.38 46.54 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA2' ' CD ' ' A' ' 83' ' ' LYS . . . 37.87 70.7 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.053 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' N ' ' HB2' ' A' ' 83' ' ' LYS . 12.2 mt-10 -136.05 135.49 39.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.84 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -164.08 154.24 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -90.28 -97.07 1.16 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.513 ' C ' HD13 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -98.2 177.88 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.016 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.513 HD13 ' C ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -125.09 128.02 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.425 ' CG2' ' CE ' ' A' ' 39' ' ' LYS . 41.7 p -139.49 -165.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.482 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.2 mt-30 -39.45 159.05 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.532 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -146.27 165.04 21.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.531 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.0 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 15.4 m -137.5 -45.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.2 p -79.84 -53.0 7.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 19.9 p90 -105.76 -174.59 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 79' ' ' ILE . 1.9 mt -165.44 120.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.0 mm -94.22 135.8 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 6.1 mt -136.35 163.28 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 104' ' ' ILE . 35.7 ttt180 -138.91 146.02 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -118.02 173.91 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.05 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.59 151.38 40.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -39.08 -40.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -67.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -42.26 -56.06 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.402 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -55.7 -47.19 79.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.6 mmm180 -56.1 -34.99 66.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -34.79 49.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.536 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 30.6 m95 -64.92 -59.25 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 108.01 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.515 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.2 ppp? -60.21 -24.92 65.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.411 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 5.2 m-20 -81.11 -53.45 6.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.8 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 12.4 mt -52.41 -68.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -37.3 -54.13 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 124' ' ' LYS . 32.4 mt -60.27 -52.89 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.59 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -52.88 -30.36 33.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 mmtt -90.13 21.57 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER 62.57 127.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.87 -128.08 5.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.85 15.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 m -93.42 149.91 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.07 116.23 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.29 133.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -67.18 94.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.66 88.46 0.22 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -87.93 138.25 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.66 171.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.93 -51.56 23.46 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.3 mp -49.86 147.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' CG1' HD13 ' A' ' 30' ' ' LEU . 69.9 t -87.84 -63.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.561 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 12.6 ptm -160.94 157.23 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.623 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.85 129.01 22.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -156.07 168.48 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.523 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.6 m95 -85.7 106.29 16.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD11 ' CD2' ' A' ' 115' ' ' TRP . 81.8 mt -105.12 146.49 29.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.626 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.7 mttt -96.39 136.83 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp -113.14 153.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ILE . 19.4 ttt85 -38.19 137.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.99 94.23 1.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.3 p -94.02 -26.12 16.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -82.4 -71.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.58 -47.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 t -137.98 166.23 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 105' ' ' ARG . 33.7 m95 -53.56 130.8 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.2 m -92.36 130.06 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 6.7 tttt -96.55 88.47 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.3 mt -90.93 170.3 10.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.623 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 73.4 t-105 -101.51 96.03 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.02 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.4 m -89.94 137.88 31.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.39 119.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -85.99 118.81 25.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.2 mttt -113.71 173.76 2.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 86.67 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.885 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.54 27.07 30.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.924 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.44 150.4 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.86 138.51 45.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.03 157.13 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -136.95 135.9 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.44 140.9 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' HE2' HG23 ' A' ' 94' ' ' THR . 4.5 mttt -49.04 -38.11 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -164.51 173.35 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -86.14 -45.54 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -94.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.09 -70.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.0 81.79 0.88 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.48 -4.4 55.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 24.5 t90 68.03 149.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.34 -53.49 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.83 -177.81 46.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 138.48 45.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 102' ' ' LEU . 56.3 t -106.28 129.09 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.9 mt -90.93 134.06 34.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -117.38 36.28 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.62 -44.87 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.34 59.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.67 160.4 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 108.262 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.16 170.47 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CG2' ' CE ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -124.79 135.58 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.1 pt -112.04 -31.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 14.9 tt0 87.82 154.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -164.47 85.84 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 18.5 Cg_endo -74.93 2.09 6.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.41 ' O ' ' OD2' ' A' ' 65' ' ' ASP . 14.6 m 41.22 58.34 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt 66.18 -97.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 113.11 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 61' ' ' PRO . 1.0 OUTLIER 174.74 52.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.44 -113.8 3.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 4.1 t80 -171.42 116.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 39.3 m -131.23 161.57 31.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.7 p90 -138.7 -179.94 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.3 132.99 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.7 tt -119.65 112.7 19.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 42.1 p90 -122.94 168.06 12.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -101.28 126.38 34.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.546 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.59 -11.87 61.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 59.19 64.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -114.92 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -177.09 135.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.948 HD12 HD12 ' A' ' 102' ' ' LEU . 6.0 pt -108.23 36.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.2 m95 -137.36 154.76 49.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.013 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -108.51 141.29 40.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE3' ' A' ' 83' ' ' LYS . 32.1 m -66.23 -43.12 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE3' HG23 ' A' ' 82' ' ' VAL . 2.2 mtmt -97.71 -166.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.533 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -130.23 -146.44 5.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.542 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.0 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' CE ' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -83.88 -33.5 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.56 56.0 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -127.39 144.77 51.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.308 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.68 -54.54 3.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -167.08 154.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -85.6 -92.45 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 163.78 12.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.0 mt -77.67 -52.54 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.592 HG23 ' HE2' ' A' ' 39' ' ' LYS . 1.8 m 50.33 178.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.779 ' HB3' HD21 ' A' ' 20' ' ' LEU . 1.5 pt20 -49.59 163.86 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.47 41.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -145.37 168.13 12.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.02 -163.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.46 -47.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 p -82.53 -48.86 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 16.5 p90 -107.87 -174.88 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.948 HD12 HD12 ' A' ' 79' ' ' ILE . 2.0 mt -165.58 113.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 6.2 mm -93.31 134.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.5 mt -133.25 163.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 64.5 ttt180 -139.79 137.11 34.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.43 165.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.3 m -67.91 -72.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -105.2 145.27 30.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -41.96 -50.81 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.61 -44.63 37.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.06 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -49.1 -55.19 12.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 5.0 mtm180 -48.06 -32.61 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -35.73 35.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.604 ' CD2' HD11 ' A' ' 14' ' ' LEU . 49.3 m95 -67.08 -57.05 7.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.486 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.8 ppp? -61.23 -20.77 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -86.6 -58.24 2.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.77 30.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.9 mt -42.45 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' CG ' ' HB ' ' A' ' 57' ' ' ILE . 53.4 mt-10 -40.33 -44.62 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 124' ' ' LYS . 22.5 mt -67.3 -51.44 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.43 -67.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -53.1 -33.83 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -90.27 20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER 61.7 128.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -76.73 -126.46 0.26 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.04 42.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.5 p -84.67 140.31 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.2 p -109.51 96.57 6.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -61.62 129.93 43.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 m 62.88 98.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.51 -58.24 1.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.42 84.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -139.16 166.97 23.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.7 -52.43 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -48.24 146.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 30' ' ' LEU . 76.5 t -87.79 -63.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 115' ' ' TRP . 16.6 ptm -160.06 157.33 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.87 126.77 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 10.9 t0 -155.74 170.51 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.423 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 82.3 m95 -85.33 110.8 19.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 115' ' ' TRP . 27.1 mt -116.93 145.25 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.735 ' C ' HD12 ' A' ' 16' ' ' ILE . 8.5 mttt -95.34 136.72 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.8 mp -117.91 117.75 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.595 ' HB3' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -87.22 -169.97 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.55 47.41 89.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -121.24 -64.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 95' ' ' GLN . 31.7 mt -139.08 -82.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.11 -50.74 1.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.8 p -111.45 171.78 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.058 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CZ3' ' HB3' ' A' ' 17' ' ' ARG . 27.5 m95 -68.82 -174.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 m -127.29 -47.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 78.18 77.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' HA ' ' A' ' 39' ' ' LYS . 39.1 mt -98.67 172.25 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CE2' ' CG ' ' A' ' 41' ' ' GLN . 76.2 t-105 -91.24 96.68 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' HD12 ' A' ' 14' ' ' LEU . 38.5 m -91.27 133.6 35.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 t -115.98 119.47 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD13 HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.14 119.29 26.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.1 mttt -112.92 173.72 2.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 85.38 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.57 26.41 27.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.6 150.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 tp -132.74 137.55 46.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD23 ' HE1' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -118.15 157.66 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.95 128.46 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 77.8 m-85 -124.76 149.56 47.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 10.2 mtpt -51.57 -43.19 62.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.6 t -160.66 173.17 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.599 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.84 -45.87 9.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.49 -79.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.37 -63.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.541 ' H ' HG23 ' A' ' 40' ' ' THR . . . 72.74 90.05 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 29.1 mt-30 -110.03 -3.06 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.3 t90 61.13 151.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -126.91 -55.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 -178.4 42.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.437 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.6 m -133.92 144.62 48.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 110.415 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 102' ' ' LEU . 56.1 t -108.15 128.66 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.7 mt -89.83 132.6 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.6 41.62 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -46.9 -38.35 10.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.96 58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.591 ' O ' HD13 ' A' ' 123' ' ' LEU . 19.2 m -97.01 157.94 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.06 162.54 26.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -115.8 137.02 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.602 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -111.96 -30.69 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 14.2 tt0 83.4 146.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -152.46 68.62 7.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.55 16.92 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.95 176.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.84 -83.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -132.19 87.84 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.31 80.25 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 40.53 -116.21 0.76 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.6 t80 -154.84 131.59 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 62.9 m -144.53 164.51 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.9 p90 -150.49 176.11 11.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.602 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -141.37 145.69 35.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -126.53 112.87 16.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 37.6 p90 -122.4 167.06 13.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 8.6 t-80 -105.87 125.65 32.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.5 mp -55.81 -19.68 12.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 65.87 59.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -119.32 -76.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 147.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.909 HD12 HD12 ' A' ' 102' ' ' LEU . 3.5 pt -118.75 46.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.617 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.0 m95 -143.31 154.11 43.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.011 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.875 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -106.54 138.37 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.57 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.5 m -68.28 -41.31 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.5 mtmt -96.67 -166.61 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.43 -150.26 6.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.5 Cg_endo -74.97 -24.54 12.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.3 mmtt -127.21 53.67 1.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.24 68.07 0.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -131.12 130.13 42.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.8 -50.2 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -170.24 160.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.77 -83.24 1.15 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.1 162.98 21.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -106.58 105.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 76.9 p -117.79 -166.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 6.4 mt-30 -40.26 159.86 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 161.0 39.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.552 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -143.96 170.33 8.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.04 -164.91 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.4 t -144.02 -46.04 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -84.12 -42.94 15.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 14.3 p90 -114.52 -178.47 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.909 HD12 HD12 ' A' ' 79' ' ' ILE . 1.8 mt -165.59 111.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.9 mm -87.8 137.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.1 mt -135.55 153.97 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -134.14 133.04 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.15 -176.23 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.92 -55.74 5.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.03 157.09 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 1.2 tm-20 -42.79 -45.22 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -64.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.09 -65.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' TRP . . . -45.28 -53.05 8.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.579 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 6.8 mmm180 -48.98 -30.68 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -34.2 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 10' ' ' MET . 42.4 m95 -70.19 -59.93 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 117' ' ' ASP . 2.9 ppp? -56.61 -23.82 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 116' ' ' MET . 14.5 m-20 -83.66 -62.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.94 -38.4 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.73 -60.8 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' HA ' HD21 ' A' ' 123' ' ' LEU . 34.8 mt-10 -47.96 -39.34 19.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 124' ' ' LYS . 21.7 mt -71.39 -51.96 21.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.68 -65.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -52.88 -34.16 53.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.6 mmtp -90.49 21.51 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 57.69 159.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.423 1.077 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 141.56 26.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.8 m -99.41 96.07 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -73.87 -59.22 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -150.97 148.32 28.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.963 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -78.31 145.72 35.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 -79.27 1.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.44 -65.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -167.75 -64.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.5 -43.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.2 mp -55.16 152.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 30' ' ' LEU . 73.4 t -93.3 -61.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.573 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 17.4 ptm -161.73 158.85 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -143.56 124.47 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -155.7 173.4 16.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -84.93 112.08 20.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.0 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE3' ' A' ' 115' ' ' TRP . 79.8 mt -111.65 134.67 53.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 16' ' ' ILE . 21.9 mttt -85.6 117.44 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.3 mp -99.49 123.86 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' N ' ' CZ3' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -36.28 114.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.88 99.41 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -63.65 -11.2 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.761 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -69.45 -51.42 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.2 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -131.37 157.48 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CZ3' ' N ' ' A' ' 17' ' ' ARG . 75.0 m95 -58.44 155.62 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -102.41 -50.95 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.425 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 tttt 74.28 100.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' HA ' ' A' ' 39' ' ' LYS . 12.9 mt -117.66 176.11 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.3 t-105 -92.39 95.57 9.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB2' HD12 ' A' ' 14' ' ' LEU . 33.4 m -89.86 132.09 35.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -114.62 120.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 1.2 tt -85.8 124.84 32.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.921 ' HB3' HG23 ' A' ' 34' ' ' VAL . 9.5 mttt -121.62 172.69 4.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.95 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.38 29.64 24.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.921 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -168.49 158.89 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tp -144.88 134.27 23.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD13 ' HE3' ' A' ' 31' ' ' LYS . 3.9 mp -115.82 153.46 31.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.09 122.31 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 64.1 m-85 -118.14 146.42 44.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HA ' HD22 ' A' ' 26' ' ' LEU . 5.8 mtpt -49.89 -45.66 50.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 t -155.61 168.81 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -85.87 -32.31 21.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -61.07 -97.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -49.44 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.45 87.27 0.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 31.5 mt-30 -102.27 -1.66 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.589 ' CH2' ' HA3' ' A' ' 84' ' ' GLY . 27.4 t90 59.91 159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -134.81 -55.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.32 -179.36 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -135.37 145.24 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 0.737 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 79' ' ' ILE . 42.6 t -111.9 131.84 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -94.46 132.24 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -111.59 50.06 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -52.8 -40.29 63.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.56 59.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.719 ' CB ' HD21 ' A' ' 71' ' ' LEU . 13.5 m -98.17 152.88 18.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -123.14 166.46 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -118.93 133.82 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.2 pt -110.9 -29.26 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.8 tt0 87.44 149.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -162.87 82.31 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -9.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 m 56.27 168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.27 90.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt 55.49 104.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 176.93 65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.08 -103.72 0.23 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 2.6 t80 -170.0 133.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ARG . 86.2 m -148.96 161.63 41.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.8 p90 -135.3 169.33 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -131.87 123.15 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 57' ' ' ILE . 3.2 tt -114.56 135.1 54.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 47.3 p90 -139.37 173.85 11.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.23 122.82 40.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.615 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.59 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.36 -16.03 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 58.42 73.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -124.96 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.6 t -179.23 126.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.873 ' CD1' HD12 ' A' ' 102' ' ' LEU . 3.6 pt -99.76 35.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 99.2 m95 -136.26 155.03 50.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -92.32 152.9 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.729 HG23 ' HE3' ' A' ' 83' ' ' LYS . 12.3 m -68.68 -32.49 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.729 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.4 OUTLIER -127.6 -131.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.56 -147.9 4.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.88 43.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.77 71.56 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -132.28 138.82 48.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.296 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.63 -53.23 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.6 p -167.94 159.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.68 -83.87 1.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.6 164.12 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mt -106.08 108.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.2 p -122.24 -172.44 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.766 ' CB ' HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -41.88 161.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 159.96 40.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.481 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -142.17 168.62 13.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -74.97 179.9 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.9 t -127.61 -40.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 p -87.71 -54.02 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.9 p90 -102.86 179.78 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.873 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.1 mt -164.58 120.18 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.38 136.23 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.3 mt -135.68 159.57 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -139.46 148.58 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.29 168.16 10.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -61.63 -53.23 59.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.97 172.45 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -56.35 -57.99 9.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -54.98 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.16 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -52.43 -30.53 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -34.69 29.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.573 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 38.3 m95 -67.56 -55.71 12.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.433 ' O ' HD13 ' A' ' 57' ' ' ILE . 24.2 ptm -60.68 -31.23 70.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.33 -53.74 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.49 -44.16 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.2 mt -55.72 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -36.62 -50.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 125' ' ' SER . 24.5 mt -64.78 -51.5 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -41.41 -66.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.3 pp -54.51 -33.11 59.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -84.79 9.54 13.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 p 64.82 120.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.71 163.53 10.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.48 11.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.1 t -45.62 -50.78 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.65 106.39 11.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -175.47 149.97 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -149.04 104.66 3.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.48 87.38 0.2 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t 179.74 154.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.05 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.06 -57.06 4.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -50.04 146.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' HB ' HD22 ' A' ' 30' ' ' LEU . 75.5 t -84.67 -63.4 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.9 ptm -161.29 156.95 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.714 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.23 122.49 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -155.66 156.62 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 25' ' ' LYS . 83.3 m95 -73.95 119.83 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 11.9 mt -126.59 135.19 50.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' C ' HD12 ' A' ' 16' ' ' ILE . 7.9 mptt -90.47 117.33 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.4 mp -92.11 144.93 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 63.5 ttt180 -75.25 70.59 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . -40.1 -94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.54 HG23 HD13 ' A' ' 20' ' ' LEU . 5.4 t -176.15 -35.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 0.732 . . . . 0.0 110.422 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -56.65 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 172.11 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -11.67 60.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 10.5 m95 65.12 -172.21 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.798 HG22 ' HG ' ' A' ' 26' ' ' LEU . 87.6 m -139.68 117.88 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 13' ' ' TRP . 39.2 tttt -94.82 85.4 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.798 ' HG ' HG22 ' A' ' 24' ' ' THR . 10.0 mt -98.92 175.62 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.714 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 44.8 t-105 -99.19 97.13 8.26 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 14' ' ' LEU . 19.9 m -86.55 140.84 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.253 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' O ' HD12 ' A' ' 35' ' ' LEU . 29.2 t -122.88 120.29 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.42 123.57 31.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.2 mttt -118.62 172.72 3.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -74.98 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.893 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.94 27.16 19.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.83 158.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 29' ' ' VAL . 1.9 tp -144.16 135.03 25.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 4.6 mp -115.88 155.85 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.29 125.52 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 81.1 m-85 -124.16 139.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.628 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.1 mttt -44.26 -45.95 8.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 3.5 t -151.13 177.65 9.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -91.24 -35.74 14.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.28 -88.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -64.36 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.77 61.98 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -77.1 -7.57 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 28.1 t90 67.37 161.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.017 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.37 -54.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.44 173.87 46.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -128.46 141.79 51.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG21 HD13 ' A' ' 102' ' ' LEU . 43.0 t -107.45 130.69 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.9 mt -94.25 131.57 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.47 41.8 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.86 -38.53 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.58 58.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.648 ' CB ' HD21 ' A' ' 71' ' ' LEU . 27.9 m -96.38 160.02 14.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -127.5 169.32 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.65 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -120.11 134.6 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.65 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.1 pt -113.05 -31.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.602 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 9.0 tt0 84.93 150.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -155.31 77.2 4.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 38.4 55.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.77 -66.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -136.01 -94.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' LYS . 37.4 m-20 36.44 58.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.71 -89.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.6 t80 -178.19 118.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.3 m -131.33 164.06 26.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.28 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 8.3 p90 -148.09 179.16 7.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -143.35 142.68 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.65 HD12 HD12 ' A' ' 57' ' ' ILE . 5.0 tt -125.0 114.73 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 41.5 p90 -123.8 168.52 12.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.551 ' CE1' HD13 ' A' ' 75' ' ' LEU . 9.0 t-80 -103.71 126.24 32.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.55 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -75.03 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.1 mp -57.9 -21.56 44.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.0 64.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -122.44 -79.9 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.6 136.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.8 HD12 HD12 ' A' ' 102' ' ' LEU . 5.8 pt -108.84 41.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 98.1 m95 -135.87 154.5 51.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -93.68 138.92 31.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.77 HG23 ' HE3' ' A' ' 83' ' ' LYS . 3.0 m -57.36 -28.7 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.77 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -129.4 -130.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -145.88 -146.3 4.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.03 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 37.08 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 45.13 76.06 0.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ALA . 13.3 mt-10 -140.59 135.33 31.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.89 -53.55 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.9 p -169.92 164.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -103.24 -93.65 2.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.84 171.13 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.03 102.31 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 p -109.88 -170.19 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -53.96 172.59 0.23 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 18.3 Cg_endo -74.97 157.59 42.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 174.59 3.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.01 -162.08 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 69.1 m -142.49 -45.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 m -93.6 -52.94 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 1.4 p90 -94.87 165.06 12.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -156.28 116.91 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mm -90.22 137.95 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 8.0 mt -136.37 143.4 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttm-85 -119.63 134.19 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -107.77 178.13 4.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -72.33 -68.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -118.66 171.81 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -52.92 -39.22 62.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -66.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.99 -64.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.23 -41.14 38.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.504 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.8 mmt180 -62.9 -35.97 81.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -35.13 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.673 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 37.1 m95 -63.92 -58.0 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.474 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 1.8 ppp? -62.13 -21.64 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 116' ' ' MET . 0.5 OUTLIER -83.26 -58.31 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.75 -53.22 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' GLU . 8.1 mt -43.42 -69.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -35.65 -51.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 125' ' ' SER . 22.9 mt -64.74 -51.11 64.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -41.08 -66.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.6 pp -54.53 -32.66 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -84.19 9.53 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 121' ' ' LEU . 6.0 t -112.24 -30.03 7.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 125' ' ' SER . . . 54.46 166.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.76 4.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.3 m -52.28 124.72 13.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.72 127.72 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -122.07 99.39 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 0.788 . . . . 0.0 110.004 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -52.19 147.73 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.5 73.47 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -138.03 136.07 36.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.89 170.89 19.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.052 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.52 -53.79 9.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.22 158.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 30' ' ' LEU . 5.9 t -107.21 -63.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.675 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.9 154.71 41.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.842 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -146.07 118.41 8.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.86 172.67 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.475 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 83.9 m95 -87.87 128.45 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.061 HD11 ' CE2' ' A' ' 115' ' ' TRP . 47.9 mt -133.44 159.08 41.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 7.4 mttt -115.26 119.48 36.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.3 mp -88.29 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 33.6 ttp180 -108.78 157.66 18.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.09 50.05 4.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.527 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.0 p -127.46 -68.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 19' ' ' THR . 14.9 mt -147.73 -160.64 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -44.03 69.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -111.73 170.62 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 17' ' ' ARG . 6.2 m0 -87.72 176.15 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.049 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.483 HG21 ' OE1' ' A' ' 95' ' ' GLN . 63.2 m -130.29 110.88 11.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.7 tttt -73.87 95.28 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 70.6 mt -100.97 169.62 8.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.842 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 68.0 t-105 -94.83 95.7 8.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 107.984 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.9 m -89.16 131.2 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -118.53 118.56 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -85.53 129.1 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.6 mttm -120.09 174.99 2.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.98 83.88 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.883 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 90.57 27.14 20.9 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.2 157.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 49' ' ' THR . 6.0 tp -137.4 140.52 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -120.11 155.04 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.89 122.6 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 46' ' ' TRP . 50.1 m-85 -119.32 148.54 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.9 mtpt -53.54 -51.95 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.1 t -144.51 174.62 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.6 OUTLIER -87.9 -46.78 9.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -90.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -53.74 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.77 70.17 1.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.46 -7.0 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 31.4 t90 66.77 152.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 54.4 t -126.84 -55.44 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.26 178.22 43.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.1 m -133.33 149.02 51.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.808 . . . . 0.0 110.381 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG21 HD13 ' A' ' 102' ' ' LEU . 37.6 t -113.58 131.66 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.8 mt -94.26 129.33 40.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 56.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -59.51 -35.13 73.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.74 57.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.593 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.4 m -96.08 156.3 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.51 169.1 14.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -121.5 133.24 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -111.79 -29.18 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 16.7 tt0 86.77 154.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.173 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.8 mtt-85 -168.43 78.14 0.81 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -8.18 19.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t 39.32 90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt 49.39 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 77.48 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -146.91 73.39 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.42 -137.83 31.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 3.1 t80 -156.43 126.48 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.0 m -143.69 167.84 21.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -142.38 -179.69 6.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -141.11 120.6 13.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 57' ' ' ILE . 4.4 tt -106.39 110.08 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 51.8 p90 -115.64 161.78 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.5 t-80 -110.16 119.31 47.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.433 1.754 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -47.95 -26.38 1.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.43 58.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -117.89 -79.81 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.64 142.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 102' ' ' LEU . 4.3 pt -115.74 39.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.671 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.2 m95 -137.88 125.99 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -64.28 137.98 58.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.66 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.2 m -55.57 -32.08 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.66 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -128.32 -134.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -141.99 -146.87 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.95 -43.87 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -102.25 45.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.36 62.95 0.86 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -123.98 141.83 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.03 -55.83 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.429 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -166.4 156.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -83.62 -81.19 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 165.67 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.78 . . . . 0.0 109.979 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.1 mt -106.48 104.7 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 42.3 p -119.93 -166.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.483 ' OE1' HG21 ' A' ' 24' ' ' THR . 2.8 mt-30 -38.88 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.448 ' O ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.0 159.52 41.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.671 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -141.5 168.57 13.55 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.97 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 12.4 t -141.57 -46.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -50.65 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 26.1 p90 -105.73 -175.2 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -165.61 115.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -93.35 137.81 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.362 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.1 mt -134.47 161.22 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 4.7 ttt180 -135.67 141.32 44.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.29 170.28 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -73.57 -50.45 21.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.71 157.9 43.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -42.73 -60.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.46 -63.09 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' CYS . 18.5 m-20 -45.14 -67.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -43.36 -48.04 6.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -56.5 -35.16 67.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.1 OUTLIER -71.76 -39.79 69.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 1.061 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.4 m95 -64.08 -65.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.506 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 ptm -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -83.34 -63.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -44.67 -41.29 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.87 -62.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 38.7 mt-10 -45.97 -41.05 11.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 124' ' ' LYS . 30.4 mt -70.32 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.24 -64.48 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 55' ' ' CYS . 2.1 pp -53.48 -32.92 52.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.6 mttt -89.7 21.28 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.18 -40.27 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 54.0 168.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 55.65 3.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m -110.48 117.16 32.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.1 t -130.3 -55.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -58.26 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.729 . . . . 0.0 109.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -88.04 138.36 31.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.9 72.49 1.29 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.33 126.63 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.28 -65.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.45 -93.28 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.93 166.8 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.648 ' CB ' HD22 ' A' ' 30' ' ' LEU . 42.2 t -110.24 -58.6 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 11.6 ptm -162.86 153.33 16.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.671 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.79 129.91 23.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 7.9 t0 -155.47 168.74 26.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.58 ' CE3' ' HE2' ' A' ' 25' ' ' LYS . 85.5 m95 -86.92 106.29 17.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 115' ' ' TRP . 33.0 mt -108.98 148.57 30.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' HD12 ' A' ' 16' ' ' ILE . 10.5 mttt -95.82 136.42 36.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -114.23 138.36 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 10.9 ttp-105 -39.16 139.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.41 123.85 6.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.518 HG23 HD13 ' A' ' 20' ' ' LEU . 9.9 t -67.82 -21.53 65.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.598 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -80.02 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.95 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.51 144.06 30.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -77.32 152.86 34.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.569 HG22 ' HG ' ' A' ' 26' ' ' LEU . 57.1 m -96.96 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HE2' ' CE3' ' A' ' 13' ' ' TRP . 63.0 tttt -71.14 91.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 39' ' ' LYS . 49.3 mt -102.64 171.1 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.671 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.4 t-105 -99.41 104.81 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.2 m -96.56 131.32 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 35' ' ' LEU . 89.1 t -112.28 129.17 68.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD22 ' CB ' ' A' ' 9' ' ' VAL . 3.0 tt -94.0 124.52 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HB3' HG23 ' A' ' 34' ' ' VAL . 18.3 mttt -117.27 172.24 4.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 79.52 2.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.829 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 95.5 28.75 9.35 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.92 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -168.28 162.68 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.3 tp -145.03 139.16 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD22 ' OH ' ' A' ' 38' ' ' TYR . 4.4 mp -121.7 157.2 31.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' OH ' HD22 ' A' ' 36' ' ' LEU . 51.5 m-85 -129.04 144.58 51.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.8 mttt -49.8 -41.86 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -158.12 173.55 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.81 -46.27 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.98 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.35 84.33 0.68 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -91.4 -7.44 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 29.4 t90 67.37 148.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 107.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.4 t -123.02 -57.14 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.82 -178.69 40.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -136.28 138.61 41.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 102' ' ' LEU . 41.7 t -107.31 131.44 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 mt -94.65 132.45 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . 0.3 OUTLIER -113.09 43.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.68 -38.84 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.17 60.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.65 ' O ' HD13 ' A' ' 123' ' ' LEU . 23.2 m -97.04 164.6 12.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -132.64 169.62 16.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.93 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -122.59 136.02 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -116.69 -33.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.559 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 16.3 tt0 88.57 152.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' NH2' HD11 ' A' ' 103' ' ' ILE . 2.2 mtm-85 -163.01 70.01 1.94 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 54.04 173.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.67 -52.44 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -167.79 120.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.08 67.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.49 -98.7 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.575 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 15.6 t80 -175.64 123.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.767 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 75.1 m -139.03 163.78 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.2 p90 -144.34 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -134.97 132.72 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 57' ' ' ILE . 5.5 tt -120.97 110.03 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -119.21 163.73 16.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.4 t-80 -104.35 122.03 45.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.1 mp -51.16 -22.03 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 65.44 66.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -127.26 -77.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.68 151.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -125.11 35.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.642 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.0 m95 -134.17 151.87 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 107.962 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -98.01 144.32 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.5 m -65.19 -41.25 91.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -114.31 -161.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.556 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -125.9 -146.57 6.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -38.1 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -108.52 47.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.35 53.54 3.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -121.49 126.74 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.98 -62.59 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.444 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.9 t -145.22 157.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.51 -57.8 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.79 172.32 12.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.496 ' C ' HG23 ' A' ' 94' ' ' THR . 28.2 mt -110.02 138.16 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.496 HG23 ' C ' ' A' ' 93' ' ' ILE . 32.2 p -156.4 -169.73 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -40.08 159.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.5 41.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.642 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -140.58 165.02 32.84 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.56 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -141.82 -48.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 p -82.18 -47.21 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 15.0 p90 -109.1 -176.08 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -165.45 124.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' NH2' ' A' ' 60' ' ' ARG . 2.3 mm -103.18 135.63 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.7 mt -131.79 162.13 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 104' ' ' ILE . 5.3 ttp180 -134.18 139.78 46.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 105' ' ' ARG . . . -110.78 171.55 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -79.97 -50.16 10.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 151.0 49.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 9.3 tt0 -40.65 -55.58 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.83 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -44.22 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.44 -45.97 52.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -54.32 -38.63 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -28.96 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.515 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 51.5 m95 -75.16 -62.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.511 ' HB2' HG21 ' A' ' 57' ' ' ILE . 22.7 ptm -52.34 -25.75 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -81.99 -60.63 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.06 -40.08 14.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 57' ' ' ILE . 11.3 mt -56.08 -66.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -40.69 -43.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -69.22 -53.12 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.446 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -39.36 -66.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.5 OUTLIER -52.59 -35.27 53.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 121' ' ' LEU . 7.8 mmtt -90.34 21.9 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -42.54 -27.78 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 110.051 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 86.91 160.08 34.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t -138.78 -53.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.7 m -57.22 111.79 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -97.98 -58.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 64.35 131.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.2 -84.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.02 178.65 7.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.76 -67.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.78 -55.22 0.52 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -51.47 148.99 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG1' HD13 ' A' ' 30' ' ' LEU . 55.1 t -88.97 -62.12 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.555 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.1 ptm -162.25 157.33 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.7 123.53 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.24 161.84 40.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -74.7 107.68 6.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 HD11 ' CE3' ' A' ' 115' ' ' TRP . 75.8 mt -105.49 131.72 52.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 19.2 mttt -81.19 122.13 27.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.6 mp -102.46 129.34 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -35.1 134.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.07 15.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -110.81 -44.11 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 0.76 . . . . 0.0 110.439 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -89.44 -125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . 4.7 mmpt? -39.31 -59.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -175.91 -167.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.551 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 42.0 m95 -48.38 169.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.522 HG22 ' HG ' ' A' ' 26' ' ' LEU . 23.1 m -112.57 -61.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 24' ' ' THR . 2.5 tttt 73.4 86.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' ' 39' ' ' LYS . 4.0 mt -107.68 -179.56 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 t-105 -91.41 95.38 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 108.021 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 61.1 m -88.33 128.44 35.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.0 t -110.12 120.2 60.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 120.8 27.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.906 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.1 mttt -115.88 173.08 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.99 87.71 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.07 27.81 27.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -168.04 158.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -142.88 133.34 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.8 mp -115.37 158.42 22.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 128.12 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -124.71 140.51 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.9 mttt -47.09 -45.57 22.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -151.85 174.54 13.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.25 -30.66 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -100.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -43.27 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.88 74.12 1.25 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.88 -6.46 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 25.8 t90 67.77 155.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 107.974 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.71 -56.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.67 -176.61 42.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -137.28 136.55 38.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.764 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.458 HG21 HD13 ' A' ' 102' ' ' LEU . 45.1 t -102.63 129.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 81' ' ' ALA . 5.0 mt -93.2 124.99 37.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.19 39.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -44.2 -38.47 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.85 58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 123' ' ' LEU . 29.7 m -97.02 156.14 16.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.2 173.94 7.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.541 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -128.26 134.7 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' CE ' ' A' ' 70' ' ' LYS . 1.4 pt -112.91 -32.81 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 20.3 tt0 88.2 157.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' CYS . 1.1 mtp85 -163.14 68.25 1.79 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -11.45 21.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m 53.47 173.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -74.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -139.08 105.48 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -174.12 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.62 -102.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 4.5 t80 -172.25 128.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ARG . 5.6 m -141.25 166.73 23.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.8 p90 -148.18 177.84 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.596 ' CE ' HD11 ' A' ' 58' ' ' ILE . 4.3 ttpt -133.47 153.88 51.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD12 HD12 ' A' ' 57' ' ' ILE . 5.4 tt -141.27 110.64 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -119.19 173.88 6.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.3 t-80 -116.9 121.92 32.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.0 mp -51.06 -23.24 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 65.56 56.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -115.54 -80.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.45 147.63 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 102' ' ' LEU . 5.0 pt -118.0 32.95 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -133.49 150.43 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -95.81 142.37 28.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.75 -40.79 89.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.16 -161.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -126.51 -145.75 6.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.1 Cg_endo -75.03 -47.31 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.451 1.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -94.5 32.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.07 51.25 47.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.39 132.51 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -44.19 -59.9 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.5 t -149.74 155.06 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.17 -71.63 1.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.95 176.57 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.01 114.69 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' GLN . 75.9 p -138.94 -174.83 3.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.6 mp0 -38.57 155.23 0.13 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.949 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.01 -20.25 17.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.949 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 50.65 179.3 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.98 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -141.75 -45.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.92 -54.99 3.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 11.7 p90 -96.9 176.1 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.908 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -159.84 109.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.9 mm -84.43 133.09 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.527 HG21 HD13 ' A' ' 14' ' ' LEU . 5.8 mt -132.71 161.98 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 15' ' ' LYS . 58.6 ttt85 -139.32 132.46 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.527 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -100.92 162.28 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -55.37 35.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -135.09 172.57 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -53.5 26.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.39 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -41.17 -64.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.527 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -48.75 -51.94 22.03 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -52.77 -33.31 47.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -37.02 29.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.659 ' CE3' HD11 ' A' ' 14' ' ' LEU . 43.8 m95 -65.25 -58.13 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.957 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.405 ' O ' HD13 ' A' ' 57' ' ' ILE . 20.7 ptm -56.47 -30.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.91 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.24 -32.1 2.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 122' ' ' ALA . 12.0 mt -67.07 -69.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 123' ' ' LEU . 35.5 mt-10 -38.28 -37.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 124' ' ' LYS . 26.5 mt -74.09 -51.98 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.1 -63.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -54.23 -35.56 62.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.4 mmtt -85.01 10.59 11.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -115.21 -31.37 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.51 -143.08 8.84 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 0.0 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.49 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -99.6 157.36 16.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.2 m -67.03 114.13 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.54 138.61 0.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.97 129.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.14 66.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -55.29 167.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.21 162.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.98 -60.44 7.57 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.3 mp -47.15 146.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 0.726 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 30' ' ' LEU . 66.4 t -85.75 -62.81 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 13.6 ptm -162.2 157.18 22.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.61 127.8 24.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -155.47 170.18 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -89.59 106.95 18.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 115' ' ' TRP . 23.3 mt -109.93 145.58 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' C ' HD12 ' A' ' 16' ' ' ILE . 9.6 mttt -97.1 131.7 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -103.92 147.77 9.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 20.5 ttt85 -39.8 144.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.05 125.84 4.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.97 -17.86 11.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.932 HD23 ' HG2' ' A' ' 95' ' ' GLN . 3.3 mm? -79.19 -99.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -89.93 -54.72 3.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -163.65 179.25 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.427 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 20.5 m95 -62.15 153.19 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 107.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.5 m -111.24 136.1 50.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -100.86 93.27 5.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.0 mt -98.55 171.58 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.603 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.3 t-105 -96.72 95.9 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 29.0 m -88.39 130.24 35.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.85 118.64 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -85.22 125.86 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.6 mttm -119.37 173.82 3.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -75.0 87.19 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.887 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.09 26.97 29.67 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.908 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.46 156.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.1 mp -120.13 156.07 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.53 126.0 38.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -122.08 146.4 47.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.7 mttt -55.38 -50.12 70.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.1 t -145.93 166.53 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -26.31 38.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -77.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.5 t-20 -82.09 53.79 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.82 91.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 43' ' ' ASN . 8.6 mt-30 -89.58 -3.75 58.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.744 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 84' ' ' GLY . 21.6 t90 69.36 147.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.01 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.7 t -124.44 -46.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.5 -178.65 48.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.5 m -138.51 137.94 37.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 79' ' ' ILE . 35.9 t -104.89 130.97 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.7 mt -95.01 129.75 41.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.54 38.99 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -176.84 60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.53 ' O ' HD13 ' A' ' 123' ' ' LEU . 14.1 m -99.1 155.89 17.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG2' ' CE1' ' A' ' 72' ' ' PHE . 7.4 pt-20 -122.44 176.37 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.616 HD12 HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.75 136.41 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.83 -30.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 1.2 tt0 85.65 148.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -162.61 75.94 2.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' PRO . 8.4 m 51.77 176.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.55 -42.55 33.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -167.59 130.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' PHE . 1.1 m-20 162.06 71.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 46.14 -93.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 113' ' ' ARG . 10.0 t80 -172.1 116.93 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.2 m -129.7 158.39 39.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 108.318 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 1.8 p90 -136.96 -179.84 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 123.87 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 57' ' ' ILE . 3.7 tt -112.93 115.46 28.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.609 ' CE1' ' HG2' ' A' ' 56' ' ' GLU . 4.6 p90 -120.89 168.67 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' HD13 ' A' ' 75' ' ' LEU . 7.0 t-80 -106.64 121.87 43.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.602 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.92 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.4 mp -55.93 -21.29 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.95 53.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -115.76 -79.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 t -178.52 156.2 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.98 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -125.96 41.58 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CH2' HD22 ' A' ' 97' ' ' LEU . 97.3 m95 -137.65 139.88 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -84.16 137.45 33.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.79 -40.32 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.531 ' CE ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -115.32 -159.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.85 -145.71 5.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -100.0 48.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.83 92.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -157.98 142.63 16.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 90' ' ' VAL . . . -51.75 -56.92 10.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 89' ' ' ALA . 2.4 t -152.85 164.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.61 -50.88 1.48 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.78 166.98 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.2 mt -105.67 127.82 60.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 46.2 p -143.56 -166.21 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.932 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -41.78 163.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.3 40.32 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.507 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.97 164.3 30.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.0 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.558 1.82 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -143.16 -49.09 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.09 -46.03 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 p90 -110.9 -176.72 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.98 HD12 HD12 ' A' ' 79' ' ' ILE . 1.1 mt -163.55 123.09 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -100.98 137.43 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -133.63 163.5 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 104' ' ' ILE . 66.8 ttt180 -138.56 137.0 36.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.23 165.41 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.1 m -64.08 -59.35 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 m -121.96 156.74 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.7 tt0 -43.99 -54.18 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -68.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -42.27 -65.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.08 -50.17 9.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.5 mtm180 -57.26 -35.12 69.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.77 -31.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.533 ' CD2' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -71.4 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.527 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 4.3 ppp? -59.4 -22.66 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.9 m-20 -85.75 -57.21 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.9 -43.66 28.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.513 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -41.09 -40.25 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 125' ' ' SER . 26.6 mt -72.05 -53.33 13.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.07 -63.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.4 pp -55.93 -34.2 65.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 125' ' ' SER . 13.1 mmtt -82.48 6.59 16.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 0.3 OUTLIER 83.4 -50.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.93 161.17 37.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 61.24 5.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.3 p -143.69 147.03 33.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 m -94.46 147.52 23.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 74.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -86.36 137.23 32.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 -62.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.63 -54.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.39 141.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.02 -59.0 8.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.3 mp -52.58 148.09 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.678 ' CG1' HD13 ' A' ' 30' ' ' LEU . 74.7 t -87.9 -62.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.53 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 16.2 ptm -161.17 156.14 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.4 126.44 19.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -155.88 167.29 30.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 87.4 m95 -84.78 105.82 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 28' ' ' CYS . 73.5 mt -102.39 157.83 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.647 ' C ' HD12 ' A' ' 16' ' ' ILE . 6.1 mttt -108.5 133.23 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -112.3 148.58 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -40.37 135.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' LEU . . . -102.62 81.72 0.4 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.432 1.083 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.543 HG21 ' HG2' ' A' ' 96' ' ' PRO . 80.7 p -38.9 -30.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 ' CD2' ' NE2' ' A' ' 95' ' ' GLN . 1.0 OUTLIER -78.12 -73.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.7 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.05 141.37 28.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.542 ' CZ2' ' HD2' ' A' ' 17' ' ' ARG . 25.1 m95 -75.63 147.46 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -99.3 115.02 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 4.1 tttt -82.98 88.32 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 39' ' ' LYS . 71.2 mt -91.6 169.35 10.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CD2' ' CG ' ' A' ' 41' ' ' GLN . 72.2 t-105 -98.89 96.99 8.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 108.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' HB2' HD12 ' A' ' 14' ' ' LEU . 15.1 m -92.6 132.62 36.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.0 t -114.86 119.55 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.74 120.85 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.888 ' HB3' HG23 ' A' ' 34' ' ' VAL . 3.5 mttm -115.68 173.1 3.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.02 88.42 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.896 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.56 26.57 32.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.61 156.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -142.17 134.73 28.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 3.4 mp -115.58 154.87 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.34 124.19 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -119.22 147.32 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HA ' HD22 ' A' ' 26' ' ' LEU . 15.2 mtpt -54.86 -36.69 65.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -162.55 173.59 13.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.587 ' CG ' ' CD2' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -87.4 -46.69 9.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 41' ' ' GLN . 2.2 mmtt -44.47 -93.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -57.87 -70.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 70.95 1.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.99 -8.62 59.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 23.2 t90 67.79 146.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.422 ' CG2' ' CG ' ' A' ' 39' ' ' LYS . 69.1 t -119.65 -52.17 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.16 -179.67 48.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -131.44 150.09 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.426 HG21 HD13 ' A' ' 102' ' ' LEU . 44.2 t -114.51 132.13 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.6 mt -92.76 131.65 37.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -114.8 40.71 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -44.14 -43.21 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.47 60.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.664 ' CB ' HD21 ' A' ' 71' ' ' LEU . 6.9 m -96.23 161.54 13.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -124.47 175.45 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.592 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.6 pt -115.19 -34.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER 87.74 149.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 8.0 mtp180 -151.33 72.78 8.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.2 Cg_endo -74.95 -8.66 20.33 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m 50.91 179.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.979 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 99.49 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.98 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -174.91 59.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.7 -114.78 7.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 17.2 t80 -170.27 132.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.1 m -148.42 172.03 15.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.315 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.0 p90 -150.73 179.03 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.677 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -142.68 143.25 32.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 55' ' ' CYS . 2.9 tt -124.69 112.27 16.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.7 p90 -119.09 163.84 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.585 ' CE1' HD13 ' A' ' 75' ' ' LEU . 7.7 t-80 -106.99 123.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.569 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.36 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -55.6 -20.69 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 tt0 83.13 28.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -91.71 -171.57 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -100.5 127.44 46.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.023 HD12 HD12 ' A' ' 102' ' ' LEU . 3.2 pt -92.57 41.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.7 m95 -138.64 149.96 45.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.24 138.85 37.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.537 HG23 ' CE ' ' A' ' 83' ' ' LYS . 35.9 m -68.02 -42.03 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' CE ' HG23 ' A' ' 82' ' ' VAL . 1.7 mtmt -97.14 -164.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -139.65 -148.12 5.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.572 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -25.94 11.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' GLY . 23.7 mmtt -130.28 58.15 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 33.94 70.22 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.4 mt-10 -135.38 129.15 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.37 -57.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -165.07 156.96 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.476 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -87.46 -72.27 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -129.13 150.07 50.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 94' ' ' THR . 8.2 mt -81.96 -46.5 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.476 HG22 ' HE3' ' A' ' 39' ' ' LYS . 25.9 p 40.49 -161.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.548 ' NE2' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mt-30 -50.09 164.97 0.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.543 ' HG2' HG21 ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 159.66 41.17 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.31 163.67 35.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.416 1.745 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 17.5 t -142.79 -46.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -53.21 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 23.7 p90 -103.01 -178.19 3.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.023 HD12 HD12 ' A' ' 79' ' ' ILE . 1.3 mt -163.64 115.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 70' ' ' LYS . 17.4 mm -88.56 137.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 7.2 mt -136.3 158.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -137.94 138.48 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.434 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -108.73 173.29 6.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -69.92 -60.48 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.93 153.08 35.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.592 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.6 tt0 -42.51 -37.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -66.4 -59.4 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' SER . 2.0 m-20 -40.73 -60.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.434 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -53.5 -51.38 48.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -49.54 -40.15 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -34.19 67.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.53 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 42.9 m95 -69.11 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.014 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.481 ' CE ' ' HG3' ' A' ' 59' ' ' GLU . 26.3 ptm -49.76 -31.76 12.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.52 -54.66 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.34 -47.94 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -51.35 -67.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -35.92 -53.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 125' ' ' SER . 40.0 mt -59.17 -53.24 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 119' ' ' LEU . . . -39.46 -70.03 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.508 HD22 ' O ' ' A' ' 55' ' ' CYS . 2.3 pp -53.25 -32.16 47.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 121' ' ' LEU . 1.7 mmtt -90.31 20.97 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 121' ' ' LEU . 10.6 p -43.8 -39.91 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 117.63 164.99 13.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 61.53 5.67 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.36 149.48 21.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -174.3 106.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -69.06 -58.13 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.942 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.58 142.77 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.67 89.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -139.01 119.74 14.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 -65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.62 -93.6 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -55.69 167.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.767 ' CG1' HD13 ' A' ' 30' ' ' LEU . 47.2 t -114.93 -58.47 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.535 ' HE1' ' CD1' ' A' ' 115' ' ' TRP . 7.3 ptm -161.74 147.75 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.86 130.52 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 13' ' ' TRP . 5.8 t70 -155.79 171.44 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.8 m95 -87.51 106.8 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 28' ' ' CYS . 25.3 mt -108.2 151.42 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -104.3 131.36 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 15' ' ' LYS . 1.7 mp -102.25 143.92 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 4.5 tpt180 -38.8 138.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' ARG . . . -101.01 150.42 18.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.4 p -138.4 -42.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.745 HD23 ' HG2' ' A' ' 95' ' ' GLN . 3.9 mm? -65.18 -78.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -113.62 -50.51 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -159.5 -169.87 2.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 13.1 m95 -70.22 165.92 21.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 m -129.76 131.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.4 ttmt -91.73 100.86 13.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt -104.84 170.51 7.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 76.2 t-105 -97.71 98.05 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB2' HD12 ' A' ' 14' ' ' LEU . 10.4 m -93.94 126.32 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.539 ' O ' HD12 ' A' ' 35' ' ' LEU . 39.0 t -106.09 125.56 61.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -90.94 117.4 29.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' HG23 ' A' ' 34' ' ' VAL . 15.6 mttt -112.95 171.18 4.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.04 86.53 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.06 26.2 26.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.38 154.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' VAL . 3.2 tp -138.39 134.88 34.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.566 HD13 ' HE3' ' A' ' 31' ' ' LYS . 1.1 mp -116.23 157.23 25.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.65 130.79 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.9 m-85 -128.91 138.6 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 mttt -45.62 -47.21 14.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.3 t -147.91 175.6 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -93.0 -30.56 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.49 -92.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -57.3 -57.81 10.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.21 76.25 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -82.24 -8.24 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.2 t90 66.53 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 108.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.1 t -110.73 -58.69 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 178.72 43.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -128.11 138.64 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.343 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 102' ' ' LEU . 46.3 t -105.78 129.92 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 81' ' ' ALA . 9.6 mt -90.32 130.65 36.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 45.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -44.21 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.08 57.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.566 ' O ' HD13 ' A' ' 123' ' ' LEU . 24.4 m -95.57 160.39 14.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.347 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -128.75 168.2 16.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.654 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.34 138.84 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.705 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -115.38 -33.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 14.5 tt0 85.72 147.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 1.9 mmm180 -151.62 67.8 7.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.05 20.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 52.6 -173.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 92.14 5.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.88 105.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 176.42 62.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.25 -104.58 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.616 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 5.5 t80 -176.78 122.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.8 m -135.46 168.89 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 12.4 p90 -154.6 179.07 9.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.705 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -143.4 145.38 32.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.654 HD12 HD12 ' A' ' 57' ' ' ILE . 4.0 tt -125.97 112.85 16.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.498 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 42.9 p90 -124.19 159.92 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -89.37 128.18 52.16 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.58 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.76 5.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.5 4.74 30.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 42.36 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -125.95 -79.25 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -178.31 125.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.825 HD12 HD12 ' A' ' 102' ' ' LEU . 3.3 pt -103.33 38.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.507 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -138.35 150.22 46.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.933 ' HB1' ' HE3' ' A' ' 83' ' ' LYS . . . -100.12 145.2 28.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 83' ' ' LYS . 13.1 m -67.77 -41.61 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.933 ' HE3' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -107.44 -167.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -128.67 -145.31 5.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.598 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -74.97 -39.31 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' CE ' ' HB2' ' A' ' 85' ' ' PRO . 1.6 mptt -106.6 46.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 37.29 58.8 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -120.2 137.41 54.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.61 -58.56 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -164.34 151.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.508 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -79.34 -128.16 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.02 167.72 20.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.48 106.25 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.671 HG23 ' N ' ' A' ' 95' ' ' GLN . 5.4 t -122.56 -153.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.745 ' HG2' HD23 ' A' ' 20' ' ' LEU . 1.5 mt-30 -41.47 161.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 160.63 40.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.47 164.87 35.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -74.99 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 31.2 t -139.61 -53.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.2 m -83.37 -49.71 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 7.0 p90 -102.62 179.48 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.825 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -162.93 111.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.448 HD13 ' HB3' ' A' ' 70' ' ' LYS . 2.9 mm -89.46 135.63 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.0 mt -135.44 163.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 104' ' ' ILE . 4.6 ttt180 -137.78 137.96 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.426 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -109.05 179.87 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -77.68 -65.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.366 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 p -118.93 163.09 17.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -43.13 25.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -63.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.18 -66.82 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -49.07 -46.72 33.29 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 16.7 mmt180 -55.12 -39.01 68.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -40.52 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.535 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 45.9 m95 -60.85 -65.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 108.027 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.494 ' HE3' ' CG ' ' A' ' 59' ' ' GLU . 2.2 ppp? -54.2 -22.37 11.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 116' ' ' MET . 6.2 m-20 -81.69 -63.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.37 -51.67 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -40.85 -65.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -44.73 -41.35 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 118' ' ' ALA . 21.1 mt -67.56 -52.58 37.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.59 -66.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.0 OUTLIER -54.31 -33.49 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 121' ' ' LEU . 5.9 mmtt -87.0 14.01 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 10.3 p 62.2 117.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.29 -170.22 43.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.13 12.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.0 t -147.03 -61.78 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.3 166.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -166.54 116.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.68 -58.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.58 58.0 4.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 59.79 89.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.71 178.29 7.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.93 -63.35 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.1 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -51.7 148.77 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 30' ' ' LEU . 76.4 t -88.79 -63.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.5 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 13.1 ptm -160.55 155.49 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.654 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -137.65 125.76 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -155.88 161.78 40.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.6 m95 -81.4 111.1 17.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 107.996 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 104' ' ' ILE . 98.4 mt -107.4 146.46 31.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.8 mttt -96.88 130.68 44.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -108.83 150.47 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 132.12 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.61 2.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -62.6 -34.16 76.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.945 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -72.97 -67.14 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.37 -49.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -122.34 146.86 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 18.9 m95 -53.47 143.09 20.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.9 m -99.67 130.12 45.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 2.9 ttmt -97.11 86.37 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 39' ' ' LYS . 50.9 mt -89.32 171.69 9.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 70.8 t-105 -96.77 97.72 9.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 107.984 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' LEU . 13.7 m -91.98 131.47 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.84 119.36 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -85.75 119.45 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.916 ' HB3' HG23 ' A' ' 34' ' ' VAL . 7.9 mttt -113.82 173.33 2.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -74.97 86.37 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 86.9 27.63 28.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.916 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.63 152.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 49' ' ' THR . 3.7 tp -134.93 137.95 43.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.2 mp -119.32 149.78 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.78 122.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 90.0 m-85 -119.37 149.59 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.0 mtpt -52.03 -42.7 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.8 t -157.8 175.02 14.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.539 ' HG2' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.37 -33.84 14.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.66 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.62 94.12 0.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.9 mt-30 -107.45 -5.04 17.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.367 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.0 t90 62.87 158.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 108.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.07 -56.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.54 -179.27 41.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.0 m -139.46 146.42 40.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 102' ' ' LEU . 61.6 t -114.53 133.47 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.01 138.04 32.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -120.8 58.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -80.18 -22.1 42.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -172.65 46.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.976 ' HB3' HD11 ' A' ' 71' ' ' LEU . 65.3 m -94.24 136.04 34.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.279 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.919 ' O ' HD13 ' A' ' 71' ' ' LEU . 37.1 mt-10 -118.99 149.8 41.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -108.68 135.82 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.583 HD11 ' HD2' ' A' ' 70' ' ' LYS . 1.8 pt -113.86 -29.82 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 25.5 tt0 86.67 159.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 7.1 mtp180 -171.71 85.68 0.47 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.25 19.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m 52.29 175.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.26 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 87.0 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -154.13 73.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.58 -108.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 109' ' ' GLU . 5.3 t80 -151.13 130.66 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 60' ' ' ARG . 14.6 m -147.79 163.16 37.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -135.92 167.66 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -128.35 117.09 20.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -108.18 116.71 32.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 71' ' ' LEU . 21.7 p90 -118.67 174.45 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 2.6 t-80 -126.78 116.95 22.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.97 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.5 mp -46.31 -25.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 74' ' ' PRO . 20.4 mt-10 64.48 58.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -116.46 -85.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.4 t 179.23 123.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.046 HD12 HD12 ' A' ' 102' ' ' LEU . 5.1 pt -90.89 45.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.53 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.7 m95 -143.74 146.21 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.78 143.47 31.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.591 HG23 ' HE3' ' A' ' 83' ' ' LYS . 2.5 m -58.39 -33.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.591 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -127.73 -134.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.38 -145.68 4.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.06 -61.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 47.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 39.43 74.87 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -141.64 127.5 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.2 -62.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.8 t -147.04 163.8 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.82 -56.04 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.32 165.37 27.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mt -109.78 111.65 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.466 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 69.6 p -127.78 -170.39 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.945 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -40.03 160.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.51 41.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -141.23 166.66 20.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -75.02 -179.35 4.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.1 m -128.33 -40.65 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -52.87 4.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 12.5 p90 -102.85 -179.21 3.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.046 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.37 109.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.1 mm -90.62 137.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.629 HG21 HD13 ' A' ' 14' ' ' LEU . 4.6 mt -134.94 154.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 33.4 ttm180 -130.83 134.41 46.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.44 167.48 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 m -66.11 -62.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.446 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -118.37 144.78 45.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.554 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 14.9 tt0 -37.98 -48.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.2 -55.85 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.066 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -52.14 -57.57 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.1 -48.78 61.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.492 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 7.7 mtm180 -55.07 -33.58 62.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -33.64 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.546 ' CD2' HD11 ' A' ' 14' ' ' LEU . 33.8 m95 -67.83 -60.2 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.025 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 57' ' ' ILE . 3.3 ppp? -57.01 -23.43 46.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 113' ' ' ARG . 3.9 m-20 -85.0 -56.5 3.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.25 -41.36 18.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 120' ' ' GLU . 11.0 mt -57.08 -69.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -37.23 -49.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.274 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 124' ' ' LYS . 25.5 mt -63.95 -50.57 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.8 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -53.17 -29.72 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.8 OUTLIER -89.88 21.06 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' ALA . 12.4 t -45.68 -25.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 124' ' ' LYS . . . 91.18 157.6 33.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 62.84 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.14 109.92 19.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.7 p -67.04 155.76 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 120.78 42.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -158.81 113.38 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.48 74.87 0.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -104.43 129.01 52.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 -76.95 0.3 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 1.3 mp -53.41 147.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 30' ' ' LEU . 79.8 t -84.49 -63.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.56 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -162.84 156.76 20.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.727 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -140.31 127.26 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.01 169.89 23.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -85.51 112.63 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD13 HG21 ' A' ' 104' ' ' ILE . 82.3 mt -111.89 160.53 17.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' C ' HD12 ' A' ' 16' ' ' ILE . 14.5 mttt -120.46 123.62 43.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.582 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.2 mp -94.13 144.06 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 21.7 ttt-85 -79.32 161.3 26.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.23 83.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' NE2' ' A' ' 95' ' ' GLN . 6.6 p -145.4 98.44 3.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 0.0 110.379 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.841 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.0 OUTLIER 39.17 -132.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -34.06 -51.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 23' ' ' TRP . 40.0 t 175.76 -168.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 17' ' ' ARG . 58.7 m95 -40.2 140.83 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -124.67 122.12 36.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.74 93.03 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 39' ' ' LYS . 67.8 mt -100.15 169.34 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.727 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.8 t-105 -99.77 96.63 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' A' ' 14' ' ' LEU . 23.3 m -92.61 125.35 37.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.3 t -106.05 119.65 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD12 ' CE3' ' A' ' 115' ' ' TRP . 1.1 tt -86.4 122.85 30.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.873 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.8 mttm -117.29 171.53 4.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.886 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.29 24.91 30.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.18 157.18 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tp -141.55 133.3 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.9 mp -114.36 160.47 19.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.43 130.49 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -124.52 142.63 51.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.1 mtpt -52.26 -42.29 63.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 44' ' ' GLY . 1.2 t -155.33 166.35 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -46.46 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -94.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.75 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' H ' HG23 ' A' ' 40' ' ' THR . . . 74.56 75.92 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.123 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.75 -5.15 59.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.575 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.3 t90 67.98 146.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.008 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 39' ' ' LYS . 22.7 t -118.45 -55.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.89 -175.68 41.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 141.36 46.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 102' ' ' LEU . 49.0 t -103.3 128.75 56.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 81' ' ' ALA . 7.2 mt -90.5 128.01 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -113.21 51.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.98 -33.78 71.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.65 58.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' HD13 ' A' ' 123' ' ' LEU . 20.6 m -97.44 156.09 16.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.258 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.22 170.25 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.537 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.01 136.44 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.4 pt -113.71 -31.47 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' OE2' ' CZ ' ' A' ' 67' ' ' PHE . 28.0 tt0 87.49 154.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.245 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 2.9 mtt-85 -168.06 81.02 0.82 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.07 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.54 172.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' LYS . 24.8 ttpt -62.89 100.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 40.12 89.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.64 69.1 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.34 -103.79 0.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 3.3 t80 -172.61 131.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.6 m -147.45 170.13 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 9.9 p90 -149.71 179.4 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 103' ' ' ILE . 8.7 ttpt -134.37 154.63 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 57' ' ' ILE . 5.1 tt -139.37 109.17 6.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -122.1 159.63 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 6.9 t-80 -100.33 122.3 50.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.83 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.2 mp -50.37 -33.27 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.08 52.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -112.1 -79.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -175.21 155.74 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.036 HD12 HD12 ' A' ' 102' ' ' LEU . 2.1 pt -125.84 34.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -136.79 150.57 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.026 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.851 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -105.1 138.37 41.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.587 HG23 ' HE2' ' A' ' 83' ' ' LYS . 34.3 m -64.81 -43.47 96.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -96.08 -165.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -136.9 -147.87 5.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -118.08 53.32 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . . . 37.75 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -164.3 131.27 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.81 -53.91 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.5 p -168.21 159.49 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.39 -104.02 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -90.24 164.19 14.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.6 mt -101.82 113.33 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 76.1 p -128.03 -161.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.841 ' HB3' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -40.09 158.73 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.997 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.1 Cg_endo -75.03 -21.95 15.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.997 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 50.94 176.37 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.2 Cg_endo -75.01 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.72 -44.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.96 -53.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 2.1 p90 -90.56 166.62 13.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.036 HD12 HD12 ' A' ' 79' ' ' ILE . 1.6 mt -155.12 109.88 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 70' ' ' LYS . 3.9 mm -85.43 138.08 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.763 HG21 HD13 ' A' ' 14' ' ' LEU . 5.4 mt -136.49 145.6 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -123.71 137.75 54.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB1' ' OD2' ' A' ' 111' ' ' ASP . . . -104.83 -176.17 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -48.95 8.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.29 157.85 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -39.16 -57.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.67 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.562 ' OD2' ' HB1' ' A' ' 106' ' ' ALA . 35.3 t70 -40.3 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.33 -55.01 9.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.48 -30.38 12.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -34.02 37.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.585 ' CE3' HD12 ' A' ' 30' ' ' LEU . 47.0 m95 -70.21 -65.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.434 ' HB2' HG21 ' A' ' 57' ' ' ILE . 23.9 ptm -50.32 -27.46 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -82.3 -58.69 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.91 -35.61 6.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.56 -67.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.58 ' HA ' HD21 ' A' ' 123' ' ' LEU . 39.0 mt-10 -39.6 -38.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' SER . 23.7 mt -75.12 -51.34 13.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.47 -60.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 120' ' ' GLU . 1.4 pp -58.61 -33.97 70.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' LEU . 9.3 mttt -84.75 9.93 12.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER -106.2 -21.35 13.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.94 131.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 64.33 6.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.1 t -123.79 -47.87 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 m 54.81 103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -140.68 130.82 24.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -69.03 165.1 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.14 -59.71 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -52.65 57.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.95 139.49 31.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.85 -46.02 90.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -47.5 147.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -86.98 -63.74 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.676 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -154.54 162.53 41.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.99 121.91 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.11 171.15 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.53 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 89.7 m95 -87.31 117.18 25.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 107.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 115' ' ' TRP . 82.3 mt -118.12 147.56 43.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -102.03 125.53 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -99.1 148.85 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 0.6 OUTLIER -38.03 144.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.01 151.55 18.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -144.43 -48.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.566 HD23 ' HG2' ' A' ' 95' ' ' GLN . 4.2 mm? -62.24 -87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -104.13 -39.35 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 23' ' ' TRP . 36.5 t -169.42 -158.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.413 ' N ' ' OG ' ' A' ' 22' ' ' SER . 16.2 m95 -77.8 162.3 27.02 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m -123.85 132.74 53.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.1 ttmt -100.13 83.59 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 39' ' ' LYS . 47.3 mt -86.79 172.05 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.757 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 69.6 t-105 -96.3 99.27 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' HD12 ' A' ' 14' ' ' LEU . 35.4 m -91.81 136.75 32.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 t -121.11 119.91 60.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 118' ' ' ALA . 0.5 OUTLIER -85.89 125.64 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.912 ' HB3' HG23 ' A' ' 34' ' ' VAL . 4.7 mttt -118.62 174.75 2.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.5 Cg_endo -74.96 84.28 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.894 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.94 27.53 23.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.912 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -167.86 155.06 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tp -138.25 139.15 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 2.5 mp -120.09 156.46 30.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.09 125.72 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -120.78 150.6 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.651 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.4 mtpt -54.99 -39.99 69.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -161.01 173.01 15.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.65 -27.72 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -72.03 -92.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -47.24 -55.97 7.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.587 ' H ' HG23 ' A' ' 40' ' ' THR . . . 67.6 90.82 0.06 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' CD ' ' A' ' 39' ' ' LYS . 35.1 mt-30 -109.13 -3.94 16.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 24.8 t90 61.25 152.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 107.962 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.16 -56.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.6 173.35 46.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.9 m -123.75 148.22 46.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.8 t -110.75 129.78 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.4 mt -90.8 132.3 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -117.78 45.82 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -47.04 -40.67 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -177.0 60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 123' ' ' LEU . 6.9 m -96.71 157.92 15.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.86 168.22 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -122.25 133.64 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 2.2 pt -113.34 -28.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HB2' ' CE ' ' A' ' 116' ' ' MET . 12.4 tt0 82.33 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 71.95 2.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m 53.69 -177.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -76.29 90.41 3.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.38 104.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t70 177.53 65.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.63 -107.55 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 4.9 t80 -173.31 121.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.77 169.2 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 3.4 p90 -150.53 178.89 8.63 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 130.23 23.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.532 HD12 HD12 ' A' ' 57' ' ' ILE . 4.5 tt -115.93 109.35 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -116.02 166.41 12.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.9 t-80 -111.35 124.02 33.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.6 mp -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.6 tt0 81.83 33.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 36.8 mm-40 -93.17 -172.74 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m -103.51 119.71 39.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.035 HD12 HD12 ' A' ' 102' ' ' LEU . 3.7 pt -85.67 49.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.603 ' CH2' HD22 ' A' ' 97' ' ' LEU . 99.1 m95 -147.56 146.83 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.747 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -99.39 135.34 40.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' HE2' ' A' ' 83' ' ' LYS . 30.2 m -64.52 -40.91 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -99.6 -164.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.572 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -134.39 -150.68 6.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.02 -20.77 16.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 87' ' ' GLY . 9.0 mmtp -131.86 57.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . 30.24 67.52 0.11 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.563 1.164 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.0 mt-10 -130.94 129.66 42.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -38.99 -51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.7 p -169.23 158.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' N ' ' CE3' ' A' ' 46' ' ' TRP . . . -84.3 -83.18 0.98 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.07 162.97 22.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 mt -105.97 111.88 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 59.4 p -125.49 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.566 ' HG2' HD23 ' A' ' 20' ' ' LEU . 12.5 mp0 -38.91 157.18 0.12 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.52 38.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.603 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -146.08 168.4 11.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.3 Cg_endo -74.96 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.539 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.6 t -134.29 -44.58 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -54.4 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 18.8 p90 -101.94 -176.13 3.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.035 HD12 HD12 ' A' ' 79' ' ' ILE . 1.5 mt -165.4 110.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mm -90.0 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 mt -132.65 161.94 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 104' ' ' ILE . 62.4 ttt-85 -134.0 129.26 35.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.15 176.78 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -74.32 -59.82 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 m -131.47 164.59 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -41.07 -52.55 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 t -47.89 -67.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -69.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.91 -48.02 14.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 13.2 mmt180 -54.97 -38.29 67.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.357 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -40.0 67.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 108.281 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.9 m95 -62.45 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.499 ' HB2' HG21 ' A' ' 57' ' ' ILE . 1.6 ppp? -54.46 -20.52 7.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 116' ' ' MET . 16.5 m-20 -85.03 -60.11 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.498 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -48.43 -46.01 37.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.6 mt -50.88 -69.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -37.25 -52.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 125' ' ' SER . 33.5 mt -61.04 -54.03 49.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -41.32 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.9 pp -53.22 -33.62 53.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -88.78 17.79 5.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 121' ' ' LEU . 2.1 t 77.76 -54.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.68 170.86 46.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.58 21.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 t -144.35 132.43 21.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.2 t -48.13 -55.62 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -117.66 142.57 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -169.05 85.84 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.87 87.25 0.32 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.54 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.71 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.56 -93.68 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -53.72 168.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.791 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 30' ' ' LEU . 43.0 t -115.37 -59.84 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 7.1 ptm -160.24 148.13 16.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.86 130.82 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -156.21 171.61 19.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -89.11 106.0 18.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 28' ' ' CYS . 23.9 mt -107.86 160.65 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 16' ' ' ILE . 17.7 mttt -110.65 122.67 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -98.34 141.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 13.5 ttp180 -41.73 130.04 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' HG23 ' A' ' 19' ' ' THR . . . -92.52 173.41 35.45 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.441 HG23 ' C ' ' A' ' 18' ' ' GLY . 19.3 p -154.23 -44.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD23 ' CG ' ' A' ' 95' ' ' GLN . 4.0 mm? -57.76 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -121.32 -46.27 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.82 -176.11 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.404 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 13.2 m95 -65.74 -178.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.478 HG22 ' HG ' ' A' ' 26' ' ' LEU . 54.5 m -138.26 129.87 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -94.19 93.95 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 39' ' ' LYS . 32.6 mt -101.36 172.76 6.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 74.0 t-105 -99.75 96.82 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 14' ' ' LEU . 14.5 m -88.68 128.57 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 35' ' ' LEU . 38.5 t -111.91 121.5 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -87.49 117.98 26.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.879 ' HB3' HG23 ' A' ' 34' ' ' VAL . 17.4 mttt -112.49 171.3 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.1 Cg_endo -75.09 86.54 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.891 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 89.85 25.57 26.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -167.21 161.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 29' ' ' VAL . 2.1 tp -144.92 136.54 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 38' ' ' TYR . 2.0 mp -117.46 153.78 32.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.02 122.33 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 36' ' ' LEU . 55.0 m-85 -120.75 148.55 43.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HA ' HD22 ' A' ' 26' ' ' LEU . 8.1 mttt -52.47 -40.87 62.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -157.87 173.86 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.443 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.544 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.34 -29.13 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -67.27 -102.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -41.64 -61.29 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.53 93.77 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -106.88 -4.14 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.8 t90 64.15 155.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.4 t -133.25 -56.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.22 176.11 43.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -133.38 142.63 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 102' ' ' LEU . 32.2 t -108.88 133.07 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 34' ' ' VAL . 6.9 mt -97.58 129.16 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 mt -101.54 51.17 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.705 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.4 m120 -73.29 59.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 53' ' ' ASN . . . 84.3 50.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 73.8 m -94.55 144.97 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -116.79 164.29 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -119.43 139.15 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.712 HD11 ' HG2' ' A' ' 70' ' ' LYS . 1.2 pt -113.61 -32.55 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.6 ' OE2' ' CE2' ' A' ' 67' ' ' PHE . 21.3 tt0 85.07 151.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -154.29 68.35 5.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.02 17.51 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.541 1.811 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m 49.29 -177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.41 -82.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 87.27 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.67 72.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.11 -109.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE2' ' OE2' ' A' ' 59' ' ' GLU . 9.7 t80 -159.03 132.29 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.4 m -146.85 166.55 26.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.324 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 5.3 p90 -148.89 -179.2 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.712 ' HG2' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -145.75 141.23 27.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD12 HD12 ' A' ' 57' ' ' ILE . 2.8 tt -121.82 119.08 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 50.7 p90 -127.72 173.37 9.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 11.7 t-80 -109.44 131.08 22.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 73' ' ' HIS . 18.3 Cg_endo -74.98 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 mp -60.67 -19.05 57.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 67.26 59.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -115.12 -93.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -163.99 137.32 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.746 HD12 HD12 ' A' ' 102' ' ' LEU . 7.2 pt -107.68 35.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.491 ' CD1' ' HA ' ' A' ' 99' ' ' SER . 97.5 m95 -132.77 138.89 47.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.35 141.07 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.704 HG23 ' HE2' ' A' ' 83' ' ' LYS . 14.4 m -57.78 -34.15 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.704 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -128.57 -133.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 46' ' ' TRP . . . -144.67 -147.44 4.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.4 Cg_endo -75.01 -48.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.11 40.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 42.42 75.75 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ALA . 7.1 mt-10 -144.32 133.41 22.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.66 -56.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.524 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 2.1 p -168.6 166.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 90' ' ' VAL . . . -116.59 -71.32 0.45 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 166.12 16.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 94' ' ' THR . 21.3 mt -105.79 -68.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.669 HG23 ' N ' ' A' ' 95' ' ' GLN . 6.7 t 36.78 -150.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.669 ' N ' HG23 ' A' ' 94' ' ' THR . 10.2 mt-30 -65.81 144.81 98.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.962 ' O ' HD12 ' A' ' 97' ' ' LEU . 18.6 Cg_endo -74.91 -15.66 20.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.962 HD12 ' O ' ' A' ' 96' ' ' PRO . 0.0 OUTLIER 55.49 -177.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 7.1 t -145.23 -50.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -81.94 -44.52 16.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 22.7 p90 -113.39 -174.87 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 79' ' ' ILE . 2.1 mt -163.73 115.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.673 HD13 ' CB ' ' A' ' 70' ' ' LYS . 4.8 mm -95.66 134.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 69' ' ' PHE . 5.3 mt -133.46 162.36 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 104' ' ' ILE . 14.3 ttt180 -136.62 134.28 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.466 ' CB ' ' CA ' ' A' ' 112' ' ' GLY . . . -106.54 158.88 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -61.64 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.4 m -118.04 152.91 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.594 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 21.8 tt0 -40.93 -60.81 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' ASP . 67.3 m -43.29 -62.5 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' SER . 26.2 t0 -39.9 -65.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.466 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . . . -50.87 -40.74 42.84 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HD3' ' CG ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -58.6 -43.42 89.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -29.82 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.531 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 49.3 m95 -73.36 -62.16 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.019 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 3.5 ppp? -57.65 -21.04 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 32.7 m-20 -85.27 -60.52 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 121' ' ' LEU . . . -46.03 -52.25 12.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.403 HD13 HD11 ' A' ' 57' ' ' ILE . 8.5 mt -40.35 -64.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.7 -39.91 12.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 118' ' ' ALA . 27.1 mt -68.17 -53.86 22.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -39.82 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -52.17 -35.89 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 121' ' ' LEU . 15.8 mttt -90.34 21.87 3.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 122' ' ' ALA . 3.3 t 70.13 -69.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.29 166.98 12.47 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.3 p -123.36 159.33 29.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 109.981 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.2 m -130.86 105.51 7.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 45.84 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.051 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -106.74 128.99 54.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.63 -92.98 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t 60.15 88.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m 65.21 168.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.96 -57.63 18.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -47.29 143.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG1' HD13 ' A' ' 30' ' ' LEU . 75.4 t -85.08 -62.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.545 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 16.4 ptm -161.5 156.86 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.519 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -138.99 127.81 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -155.52 168.38 27.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.549 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 91.1 m95 -87.76 106.2 17.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.031 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD13 HG21 ' A' ' 104' ' ' ILE . 51.0 mt -106.28 138.58 42.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' HD12 ' A' ' 16' ' ' ILE . 5.4 mttt -91.76 135.82 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -109.05 148.01 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 23' ' ' TRP . 7.3 ttm180 -38.3 144.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.595 ' O ' HG23 ' A' ' 19' ' ' THR . . . -76.66 167.91 54.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 18' ' ' GLY . 1.2 p -156.84 -57.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.383 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HG2' ' A' ' 95' ' ' GLN . 3.1 mt -83.64 -91.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -82.46 -45.94 14.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t -177.28 -163.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 25.8 m95 -58.54 160.08 5.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.449 ' OG1' ' NE2' ' A' ' 95' ' ' GLN . 98.9 m -125.51 133.58 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -96.42 93.7 6.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.557 HD22 ' HA ' ' A' ' 39' ' ' LYS . 58.2 mt -97.95 170.67 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 75.5 t-105 -97.75 100.05 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' A' ' 14' ' ' LEU . 62.0 m -91.68 127.92 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -112.41 118.09 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -86.25 120.94 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HB3' HG23 ' A' ' 34' ' ' VAL . 1.3 mttp -114.12 174.64 2.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.4 Cg_endo -75.0 87.22 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.899 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 85.98 26.7 33.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -167.81 147.89 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tp -129.52 142.1 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -122.86 156.01 35.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.94 122.23 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 36' ' ' LEU . 84.9 m-85 -120.76 145.17 47.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' HD22 ' A' ' 26' ' ' LEU . 7.4 mtpt -51.12 -45.02 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 t -150.82 164.13 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG2' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.19 -48.26 36.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -87.51 63.73 7.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.67 90.78 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -77.6 -2.44 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.612 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 30.6 t90 67.69 139.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.75 -48.11 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.23 164.24 32.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -119.67 145.61 46.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.428 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 102' ' ' LEU . 62.1 t -112.0 130.13 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 81' ' ' ALA . 15.5 mt -89.86 134.61 34.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -121.65 48.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -56.57 -40.06 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -171.04 58.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.606 ' O ' HD13 ' A' ' 123' ' ' LEU . 28.3 m -96.09 161.75 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -131.3 167.56 19.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -120.29 139.66 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -117.59 -33.43 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 6.9 tt0 88.2 145.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -155.62 71.0 5.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.99 -5.9 17.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 t 43.87 73.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.65 -69.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 65' ' ' ASP . 18.0 mmtt -134.0 -93.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 m-20 34.94 71.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 42.48 -93.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 113' ' ' ARG . 5.8 t80 -174.92 123.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.7 m -136.35 162.73 32.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.337 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 4.5 p90 -146.31 176.92 9.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HE2' ' CD1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.65 130.02 23.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 57' ' ' ILE . 5.3 tt -115.75 110.6 19.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.525 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 34.2 p90 -119.87 169.1 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.6 t-80 -104.5 124.53 36.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.589 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.64 4.45 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 75' ' ' LEU . 3.5 mp -69.67 -7.86 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 3.5 mt-10 71.63 36.42 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -93.29 -172.08 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.7 p -102.54 114.22 28.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 102' ' ' LEU . 3.8 pt -83.02 50.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.641 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -149.96 135.61 18.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -70.64 144.25 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.504 HG23 ' HE3' ' A' ' 83' ' ' LYS . 24.2 m -61.41 -33.14 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HE3' HG23 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -126.55 -129.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -148.05 -146.47 4.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.612 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.04 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.99 49.94 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 38.31 75.18 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ALA . 4.4 mt-10 -140.09 131.61 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.74 -54.74 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.3 p -166.79 150.4 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.515 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -77.29 -110.46 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.55 169.65 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.2 mt -112.54 114.77 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.442 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 37.9 p -132.01 -166.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.69 ' HG2' HD12 ' A' ' 20' ' ' LEU . 2.5 mt-30 -39.64 159.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.36 42.31 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -137.15 166.12 29.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.4 Cg_endo -75.02 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 36.5 t -145.15 -48.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -82.49 -42.43 18.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.564 ' O ' HD11 ' A' ' 79' ' ' ILE . 27.7 p90 -116.25 -174.46 2.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.4 123.9 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 15.1 mm -98.76 135.42 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.598 HG21 HD13 ' A' ' 14' ' ' LEU . 4.9 mt -135.9 145.47 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttm-85 -119.9 131.19 55.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.06 169.6 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -70.41 -62.11 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.93 166.64 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -48.87 51.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.1 m -53.8 -64.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' SER . 1.0 OUTLIER -39.81 -65.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.01 -47.37 48.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 67' ' ' PHE . 8.1 mmm180 -55.18 -37.48 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -37.31 58.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.545 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 42.2 m95 -64.76 -62.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.451 ' O ' HD13 ' A' ' 57' ' ' ILE . 2.1 ppp? -56.37 -23.09 35.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 116' ' ' MET . 32.1 m-20 -82.47 -64.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.57 -43.75 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mt -52.39 -65.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.574 ' HA ' HD21 ' A' ' 123' ' ' LEU . 42.1 mt-10 -42.51 -37.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 124' ' ' LYS . 28.8 mt -74.73 -52.68 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.1 -61.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -54.79 -36.92 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -88.81 18.1 5.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.5 OUTLIER 64.3 132.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.89 -140.65 0.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 60.37 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 49.7 m 54.04 96.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.8 p -148.07 151.09 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 111.061 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -128.25 78.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m 54.27 91.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.76 -93.99 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t 60.66 108.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -129.13 162.57 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.61 -69.07 1.29 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -48.34 156.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 30' ' ' LEU . 10.5 t -102.02 -63.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.674 ' SD ' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -146.61 155.86 42.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.953 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -147.48 119.63 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' HB2' ' SD ' ' A' ' 10' ' ' MET . 1.1 t0 -156.48 168.42 27.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.524 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 88.0 m95 -85.56 109.78 18.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.985 HD11 ' CD2' ' A' ' 115' ' ' TRP . 38.2 mt -108.39 144.07 36.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' C ' HD12 ' A' ' 16' ' ' ILE . 1.2 mttt -98.19 135.71 39.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -111.46 148.39 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' N ' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.22 119.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.69 76.93 1.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 t -73.32 -9.37 58.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -81.84 -66.33 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.72 -46.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.3 t -138.01 163.58 31.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.039 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.553 ' CE3' ' C ' ' A' ' 16' ' ' ILE . 24.7 m95 -61.78 135.7 57.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.5 m -98.8 123.34 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 1.4 tttt -85.92 92.7 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 39' ' ' LYS . 85.2 mt -93.8 167.12 11.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.953 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 62.5 t-105 -101.24 97.24 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB2' HD12 ' A' ' 14' ' ' LEU . 65.8 m -90.93 132.29 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.268 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.58 118.35 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -85.46 127.2 34.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.944 ' HB3' HG23 ' A' ' 34' ' ' VAL . 8.0 mttt -119.1 175.33 2.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.01 83.49 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.895 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 88.95 26.73 25.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.944 HG23 ' HB3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -167.53 151.6 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 49' ' ' THR . 3.6 tp -132.02 147.59 52.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 1.1 mp -127.47 151.42 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.16 125.18 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 46' ' ' TRP . 86.7 m-85 -123.29 146.55 47.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.0 mtpt -53.44 -38.83 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.7 t -159.92 175.67 12.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.432 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.95 -29.37 17.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -63.68 -98.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -48.28 -63.8 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 70.71 1.28 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -83.37 -7.28 59.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE2' ' HD3' ' A' ' 85' ' ' PRO . 26.7 t90 67.9 156.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG3' ' A' ' 39' ' ' LYS . 66.1 t -131.23 -51.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.69 175.35 47.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 35' ' ' LEU . 3.3 m -132.07 145.91 51.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.522 HG21 HD13 ' A' ' 102' ' ' LEU . 43.9 t -111.66 130.27 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -90.26 130.45 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.11 53.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -62.58 -35.63 80.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.13 58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.655 ' O ' HD13 ' A' ' 123' ' ' LEU . 27.6 m -97.4 149.26 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 27.3 mp0 -117.64 174.18 6.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.757 ' CD1' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -133.02 138.59 51.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -118.34 -32.41 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 20.2 tt0 89.48 151.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' CYS . 2.4 mtm-85 -163.58 88.41 1.21 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.04 -11.3 21.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PRO . 2.1 t 37.61 86.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 49.8 -172.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.96 77.26 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -143.33 78.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.35 -119.67 18.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 113' ' ' ARG . 5.1 t80 -164.66 132.2 3.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' ARG . 73.0 m -144.86 160.63 40.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.3 p90 -138.17 173.47 11.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -131.79 137.86 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.1 tt -126.71 109.88 12.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -114.22 168.1 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 7.1 t-80 -119.68 124.82 27.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -48.02 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 7.4 mp -48.39 -26.24 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 64.94 56.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -109.33 -91.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 t -173.17 120.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.74 ' CD1' HD12 ' A' ' 102' ' ' LEU . 4.0 pt -91.82 40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 102' ' ' LEU . 98.9 m95 -138.26 139.16 39.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.12 145.13 40.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.71 HG23 ' HE2' ' A' ' 83' ' ' LYS . 2.7 m -63.73 -29.33 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.71 ' HE2' HG23 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -129.81 -132.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.545 ' HA3' ' CH2' ' A' ' 46' ' ' TRP . . . -143.31 -146.27 4.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 Cg_endo -75.04 -56.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 48.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 37.96 81.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -143.56 136.96 28.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.56 -58.07 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.4 p -165.2 152.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.06 -108.31 0.41 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.44 164.84 12.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.9 mt -106.79 118.01 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.451 ' CG2' ' HE3' ' A' ' 39' ' ' LYS . 34.6 p -132.37 -165.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.79 ' HB3' HD21 ' A' ' 20' ' ' LEU . 1.8 pt20 -41.06 161.77 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 160.32 40.39 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.798 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.465 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -140.68 165.22 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.577 ' HB3' ' CE2' ' A' ' 101' ' ' TYR . 18.5 Cg_endo -74.94 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 8.1 t -136.8 -55.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -82.28 -53.94 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 98' ' ' PRO . 4.7 p90 -96.46 177.25 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.74 HD12 ' CD1' ' A' ' 79' ' ' ILE . 1.7 mt -161.65 119.96 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mm -97.85 134.7 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 14' ' ' LEU . 3.6 mt -133.37 153.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.505 ' CZ ' ' CE2' ' A' ' 23' ' ' TRP . 28.1 ttm180 -129.5 132.92 47.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.87 157.34 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -66.21 -56.48 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.66 142.41 46.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 16.0 tt0 -38.81 -50.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.39 -62.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -45.36 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.59 -51.02 10.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 67' ' ' PHE . 5.4 mtm180 -56.9 -33.31 66.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -38.14 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.985 ' CD2' HD11 ' A' ' 14' ' ' LEU . 48.7 m95 -63.92 -57.73 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.471 ' CE ' ' CG2' ' A' ' 57' ' ' ILE . 3.6 ppp? -61.35 -23.01 65.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ARG . 9.4 m-20 -83.29 -62.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.91 -41.51 11.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.09 -68.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.645 ' HA ' HD21 ' A' ' 123' ' ' LEU . 45.3 mt-10 -39.08 -38.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 124' ' ' LYS . 20.2 mt -73.19 -56.53 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 125' ' ' SER . . . -40.34 -63.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.1 pp -53.82 -36.23 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.0 mmtt -86.38 12.37 10.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 121' ' ' LEU . 3.1 t -113.1 -29.78 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 57.55 163.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.76 42.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.44 133.19 36.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.8 m -128.3 137.07 51.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -43.81 150.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.15 98.66 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.65 -89.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.82 84.29 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.86 125.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.68 -56.4 23.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.4 mp -46.86 145.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.564 ' CG1' HD13 ' A' ' 30' ' ' LEU . 73.3 t -83.14 -63.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.55 ' HE2' ' CE2' ' A' ' 115' ' ' TRP . 15.3 ptm -161.95 157.33 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -139.48 127.6 22.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -156.04 169.15 25.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 25' ' ' LYS . 90.0 m95 -85.38 106.18 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 108.004 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.617 HD13 HG21 ' A' ' 104' ' ' ILE . 61.3 mt -108.04 137.2 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 tttt -95.37 131.6 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' C ' ' CE3' ' A' ' 23' ' ' TRP . 1.7 mp -99.32 149.33 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HA ' ' CD2' ' A' ' 23' ' ' TRP . 3.6 ttp180 -37.8 152.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.09 81.57 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.654 HG21 ' O ' ' A' ' 96' ' ' PRO . 2.7 p -46.87 -45.29 20.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.421 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mt -96.7 -82.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -41.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -110.62 158.62 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.495 ' CD2' ' HA ' ' A' ' 17' ' ' ARG . 15.7 m95 -75.39 168.18 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 m -123.07 121.64 36.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 13' ' ' TRP . 3.6 tttt -90.57 86.27 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 39' ' ' LYS . 40.4 mt -94.05 171.68 8.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 72.5 t-105 -97.93 98.51 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' A' ' 14' ' ' LEU . 56.1 m -93.27 128.58 39.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.8 119.89 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.564 HD13 ' CG1' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.22 121.61 29.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.903 ' HB3' HG23 ' A' ' 34' ' ' VAL . 5.6 mttt -115.78 172.79 3.42 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.3 Cg_endo -75.02 87.1 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.793 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.889 ' O ' HG13 ' A' ' 34' ' ' VAL . . . 87.69 25.73 31.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' HB3' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -167.26 152.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -135.19 138.48 43.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 31' ' ' LYS . 1.3 mp -119.8 159.11 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.47 132.03 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.462 ' OH ' HD22 ' A' ' 36' ' ' LEU . 70.9 m-85 -129.29 139.76 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' HE2' HG23 ' A' ' 94' ' ' THR . 5.8 mttt -45.59 -41.62 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 41' ' ' GLN . 1.5 t -156.72 175.95 13.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CG ' ' CE2' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -92.04 -35.52 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -53.84 -68.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.99 78.86 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -93.22 -6.29 48.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 90' ' ' VAL . 25.4 t90 68.23 149.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -124.7 -54.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.46 47.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 3.2 m -128.71 137.91 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 102' ' ' LEU . 60.8 t -104.51 127.43 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.0 mt -90.68 135.06 33.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -116.92 52.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -55.95 -39.3 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.53 63.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.55 ' O ' HD13 ' A' ' 123' ' ' LEU . 26.5 m -100.73 152.69 20.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -119.19 174.02 6.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 116' ' ' MET . 0.4 OUTLIER -131.04 132.03 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 1.0 OUTLIER -113.02 -32.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER 89.5 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' N ' ' HA ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -156.8 70.36 4.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HD3' ' CD ' ' A' ' 59' ' ' GLU . 18.3 Cg_endo -75.0 -11.99 21.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.3 m 52.84 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.07 -77.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 109.7 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.54 76.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.58 -105.92 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 59' ' ' GLU . 2.8 t80 -168.12 129.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.4 m -142.42 162.22 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 104' ' ' ILE . 2.5 p90 -138.43 173.38 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 135.72 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 57' ' ' ILE . 5.3 tt -121.75 112.8 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -118.03 168.02 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 5.5 t-80 -116.31 123.64 30.51 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' GLU . 18.2 Cg_endo -74.98 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 8.8 mp -46.32 -26.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' PRO . 26.1 mt-10 65.78 59.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -115.84 -81.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.85 125.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.769 HD12 HD12 ' A' ' 102' ' ' LEU . 4.8 pt -96.4 40.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.609 ' CH2' HD22 ' A' ' 97' ' ' LEU . 98.5 m95 -138.35 151.18 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.949 ' HB2' HD21 ' A' ' 51' ' ' LEU . . . -101.63 139.42 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.768 HG23 ' HE3' ' A' ' 83' ' ' LYS . 29.3 m -66.87 -37.6 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.768 ' HE3' HG23 ' A' ' 82' ' ' VAL . 1.9 mtmt -103.38 -166.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' CA ' ' CZ2' ' A' ' 46' ' ' TRP . . . -129.09 -147.0 6.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 46' ' ' TRP . 18.2 Cg_endo -75.02 -47.8 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -32.93 33.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.43 58.93 0.26 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.6 mp0 -129.61 140.23 51.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 0.722 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' GLU . . . -39.49 -53.71 2.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 1.2 p -168.19 150.36 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.478 ' N ' ' CZ3' ' A' ' 46' ' ' TRP . . . -82.89 -103.48 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.29 168.28 12.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 94' ' ' THR . 11.7 mt -78.71 -54.48 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.623 HG23 ' HE2' ' A' ' 39' ' ' LYS . 2.0 m 51.51 174.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -53.28 163.55 0.92 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.654 ' O ' HG21 ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.97 159.4 41.49 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.609 HD22 ' CH2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -144.18 169.04 10.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 101' ' ' TYR . 18.1 Cg_endo -75.05 -168.2 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.515 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 14.7 t -135.29 -46.6 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.46 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 98' ' ' PRO . 19.2 p90 -101.29 -177.3 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.769 HD12 HD12 ' A' ' 79' ' ' ILE . 2.3 mt -165.96 110.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -89.19 136.03 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HD13 ' A' ' 14' ' ' LEU . 4.1 mt -135.32 145.46 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' LYS . 32.9 ttt85 -121.46 128.04 51.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.97 171.27 8.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -68.43 -60.76 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.6 153.19 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 19.8 tt0 -38.67 -54.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -46.99 -64.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.24 -68.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.68 -50.59 10.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -53.92 -34.41 59.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 0.758 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -38.69 54.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.262 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.55 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 44.2 m95 -63.29 -65.66 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.629 ' O ' HD13 ' A' ' 57' ' ' ILE . 21.9 ptm -47.76 -32.31 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.28 -56.55 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.01 -43.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 120' ' ' GLU . 10.5 mt -56.19 -68.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -35.58 -50.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 125' ' ' SER . 30.3 mt -62.69 -51.88 65.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' LEU . . . -40.64 -68.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 55' ' ' CYS . 1.2 pp -52.46 -34.6 49.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -90.19 21.96 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER 72.48 -62.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.83 170.55 44.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.47 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 91.8 p -150.1 103.15 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.8 t 63.92 122.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.983 . . . . . . . . 0 0 . 1 stop_ save_