data_1xn8_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 1xn8 _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 ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 1.6 m -56.51 147.23 50.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -30.65 7.02 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -67.63 -37.42 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.18 -30.96 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -46.71 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.64 -29.62 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -60.22 -37.93 81.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -94.43 -23.6 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -96.57 119.68 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.77 35.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' HD23 ' A' ' 70' ' ' LEU . 3.0 m-85 -103.21 131.68 50.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -36.55 84.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -61.77 -43.03 99.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.91 -33.3 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.47 -51.76 39.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.2 p -56.14 -48.64 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 128.87 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.89 38.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -38.56 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 7.7 pt-20 -55.26 -42.6 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 78.2 mt -79.5 -50.45 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.15 -34.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.37 -54.7 21.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.49 -38.04 73.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.9 -50.16 37.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.39 -48.29 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.25 -40.35 93.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -26.76 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.66 -45.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -34.57 76.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.34 -33.06 41.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.85 -51.44 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.5 mt -57.27 -44.59 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.2 mt -59.75 -36.52 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.44 -35.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -63.08 -41.5 99.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -93.82 -10.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 37.33 92.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -151.48 142.56 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.657 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -117.67 117.72 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.86 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -106.81 -58.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.03 115.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -17.37 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.38 12.21 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 51.7 t80 -163.75 67.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 56.9 mt -132.24 67.61 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.39 42.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.79 73.91 27.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.73 -24.2 66.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -68.43 -55.61 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.79 -54.97 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -50.2 -42.45 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.94 -42.06 63.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.12 98.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -39.04 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.07 -41.11 96.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -70.61 -52.25 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -51.34 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.5 -33.94 76.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CE2' ' HG3' ' A' ' 101' ' ' LYS . 1.2 t80 -69.06 -55.85 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.446 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 2.1 m-85 -61.28 -56.23 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.49 -26.65 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 15' ' ' PHE . 4.7 tp -73.6 -43.83 58.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.446 HD11 ' CE1' ' A' ' 67' ' ' PHE . 3.5 pt -97.24 28.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.477 ' CD2' ' CE1' ' A' ' 67' ' ' PHE . 5.9 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' C ' ' CE1' ' A' ' 67' ' ' PHE . 1.7 tt0 -109.7 170.36 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 67' ' ' PHE . 4.3 mttt -45.64 155.15 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.404 ' HD3' ' CG ' ' A' ' 67' ' ' PHE . 18.1 Cg_endo -75.03 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -120.26 83.84 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.2 m -117.2 10.68 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.68 -39.92 90.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.97 64.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.26 -46.66 66.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 111' ' ' TYR . 3.4 pt -82.4 -19.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.95 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -30.85 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' ILE . 3.4 m-85 -114.1 22.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 66.75 8.38 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 -56.66 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -57.23 -54.5 46.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.83 -59.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -35.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 tpp -86.33 -59.15 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 30' ' ' ILE . 4.8 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -124.7 160.64 52.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.03 10.39 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -74.24 -32.09 62.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.9 -40.72 75.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -54.48 -51.0 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.4 pttt -67.19 -32.27 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.9 t -61.29 -30.5 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -99.78 -42.85 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -69.49 131.02 44.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 m -103.5 35.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.25 119.88 39.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.95 -35.53 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t -59.55 -37.32 78.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.36 -35.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -68.78 -54.72 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -45.64 -54.73 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' NE ' ' OD2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -41.68 144.61 0.77 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.85 30.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -22.79 58.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -30.53 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -92.17 -40.21 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.5 mt -49.39 -48.67 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -46.05 86.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.92 -43.31 73.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 81.8 m-20 -70.02 -35.49 74.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CG2' HD11 ' A' ' 4' ' ' ILE . 31.6 mt -65.57 -51.1 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 31' ' ' LEU . 2.3 mt -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.19 79.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -52.54 -30.31 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' HG23 ' A' ' 34' ' ' THR . . . -60.1 -40.96 91.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.14 -49.06 63.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -60.03 -43.62 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.0 mt -62.83 -36.75 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.99 -30.78 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -67.74 -44.31 77.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG21 ' ND1' ' A' ' 43' ' ' HIS . 19.3 m -87.14 -14.33 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 40.25 96.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.406 ' ND1' HG21 ' A' ' 41' ' ' VAL . 3.4 p80 -171.63 136.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.608 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.41 167.91 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.17 93.16 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -101.95 -56.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.69 112.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -16.38 33.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.39 10.15 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 40.0 t80 -161.08 66.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 44.8 mt -133.92 68.61 75.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.42 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -131.75 76.91 73.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.99 175.84 10.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.96 -20.71 61.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -71.85 -57.1 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.22 -54.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -51.21 -42.48 60.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.3 tp -70.73 -44.54 66.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.65 82.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -39.19 78.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.14 -41.91 97.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -69.37 -52.32 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -42.88 81.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.3 m -59.73 -43.89 94.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -68.21 -33.44 74.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD1' HD22 ' A' ' 99' ' ' LEU . 2.1 t80 -66.85 -52.99 37.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -66.76 -55.56 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.76 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 8.7 tp -71.84 -45.48 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 99' ' ' LEU . 17.8 pt -93.24 23.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.54 169.71 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.13 156.36 20.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.02 41.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.31 66.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.63 -5.96 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.88 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.14 -42.26 72.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 20.9 pt -84.7 -17.98 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -48.73 -31.61 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -44.05 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 73.3 m-85 -106.28 36.41 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 42.1 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.417 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 7.5 mt-10 64.98 9.11 5.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.61 -57.25 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -56.07 -54.13 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.9 t -52.28 -50.81 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -31.9 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.7 ttp -87.8 -39.97 14.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.405 HD13 ' CG2' ' A' ' 30' ' ' ILE . 1.5 pp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 8' ' ' GLU . 1.7 t -59.16 149.66 66.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.96 -16.52 20.25 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 111.037 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -75.16 -29.74 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.472 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 1.9 tm-20 -74.15 -35.68 64.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -55.01 -50.5 68.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.96 -32.13 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -61.77 -29.12 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -94.37 -40.7 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.0 p -91.12 126.2 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.84 32.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CB ' HG21 ' A' ' 18' ' ' VAL . 2.4 m-85 -90.71 115.9 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 20' ' ' THR . 12.3 tt0 -58.15 -19.41 32.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -45.03 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 15' ' ' PHE . 41.2 t -70.47 -33.17 52.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -41.68 76.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 2.9 p -64.69 -26.91 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.7 137.67 96.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.78 41.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.67 -21.78 65.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.0 -31.23 64.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.57 -48.25 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 9' ' ' LEU . 12.9 mt -44.08 -43.75 7.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 45.0 pttt -64.77 -52.26 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.8 mt-30 -55.06 -43.42 73.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -67.5 -32.2 72.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 61' ' ' LEU . 23.7 mt -68.66 -35.58 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 31' ' ' LEU . 5.9 mt -71.89 -32.37 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.5 -42.71 99.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -28.84 66.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -40.21 96.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.51 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -55.22 8.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -58.76 -44.82 91.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 mt -59.64 -37.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.42 -26.22 63.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 4.6 mttt -73.02 -42.33 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 m -91.91 -0.21 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.21 43.02 9.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -170.49 147.3 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 109.587 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -115.87 -175.79 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -128.35 101.61 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 m -124.39 25.32 7.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -126.98 108.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.97 -21.59 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 24.97 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.2 t80 -178.78 64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -120.76 78.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.42 20.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -148.1 72.78 11.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -74.99 -179.96 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -32.52 69.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -60.5 -54.48 44.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.71 -54.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.34 -42.88 22.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -59.85 -44.9 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -71.64 -40.74 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.15 -41.59 79.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.81 -49.49 52.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -51.83 68.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -58.79 -53.06 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.03 -31.59 70.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 99' ' ' LEU . 1.2 t80 -71.33 -45.5 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.63 -54.03 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.78 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.38 -49.88 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.547 HD11 ' CE1' ' A' ' 67' ' ' PHE . 21.0 pt -92.53 30.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.3 172.25 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.91 145.27 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.36 73.72 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 3.2 m -118.62 -0.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -59.9 -44.07 94.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.64 -25.71 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.76 -53.07 24.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 40' ' ' LYS . 17.5 pt -73.97 -21.78 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -52.49 -21.71 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.85 -18.67 65.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 88.2 m-85 -138.81 38.63 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 71.0 6.15 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.72 -57.26 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -48.74 78.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.09 -50.93 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -32.71 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -53.42 4.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -93.44 162.67 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.86 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -32.56 72.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -31.33 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.09 -44.93 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -66.51 -29.97 70.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -61.49 -37.98 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -89.08 -35.63 16.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -90.41 119.26 30.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -96.01 29.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -98.03 129.58 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.1 OUTLIER -60.39 -36.27 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -58.3 -36.18 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -74.35 -39.31 48.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -66.2 -55.03 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 73.4 p -46.16 -43.72 15.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 25' ' ' LEU . 2.1 tpm_? -55.38 126.26 61.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.05 37.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.11 -40.59 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.75 -37.99 63.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 21' ' ' ARG . 36.6 mt -87.59 -50.4 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 10.4 mt -44.79 -39.37 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.84 -54.13 50.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -55.15 -33.21 62.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -76.25 -51.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.4 mt -56.16 -34.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.72 -32.62 57.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.89 -30.47 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.33 -49.92 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 35' ' ' ALA . 13.3 t -57.0 -25.24 58.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' N ' HG21 ' A' ' 34' ' ' THR . . . -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.79 -42.1 67.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.97 -48.81 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.94 -34.88 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 8.9 mttt -81.38 -45.25 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 43' ' ' HIS . 35.0 m -78.85 -12.71 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.34 41.39 87.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.9 p80 -171.53 135.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -108.29 107.4 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 46' ' ' SER . 27.4 m-85 -37.59 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 45' ' ' PHE . 2.8 m 33.4 72.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -178.22 111.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.57 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.52 14.35 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 22.2 t80 -166.79 67.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 47' ' ' ASP . 1.7 mt -121.11 75.64 30.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.1 Cg_endo -75.04 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -134.43 69.37 73.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -20.7 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -71.8 -56.96 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.18 -54.57 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -43.43 15.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.23 -44.59 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.78 79.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -42.67 69.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -73.14 -51.33 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.81 79.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 t -56.87 -38.71 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -75.68 -41.03 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 99' ' ' LEU . 6.0 t80 -52.41 -53.74 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.51 -51.82 32.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.35 -26.68 31.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.9 tp -75.6 -48.23 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.445 ' CG2' HD23 ' A' ' 99' ' ' LEU . 16.4 pt -92.37 29.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' A' ' 67' ' ' PHE . 8.8 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -115.22 10.73 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER 87.85 143.42 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.0 135.63 19.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -78.75 76.58 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 m -93.4 17.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.7 t80 -63.03 -39.32 94.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.1 -28.65 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.92 -44.88 65.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 26.2 pt -84.64 -9.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -60.21 -15.82 27.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -29.21 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 72.9 m-85 -127.04 40.12 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 2.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 70.15 6.54 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.96 -53.39 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -16.5 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.67 -47.88 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -27.41 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 129' ' ' ARG . 10.1 ptp -88.71 -37.22 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 128' ' ' MET . 1.1 mpt_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -62.13 161.25 25.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.17 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.99 -34.27 77.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -32.23 60.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 3.6 tp -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 8.1 ptmt -66.6 -32.68 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.1 t -52.16 -42.24 63.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -91.92 -45.51 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -79.19 122.51 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.43 39.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 70' ' ' LEU . 2.7 m-30 -102.64 118.35 36.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -36.31 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -60.83 -43.21 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.43 -36.66 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -54.56 21.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.6 p -51.18 -55.06 19.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 25' ' ' LEU . 10.5 mtt-85 -40.1 137.81 1.18 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.11 -42.9 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.83 -34.34 62.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 24.4 mt -86.17 -50.83 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -43.38 -34.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -64.34 -52.72 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -58.22 -33.83 69.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -76.34 -40.17 52.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mt -61.57 -48.39 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.73 -31.5 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -56.85 -40.9 76.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.24 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -44.43 -43.83 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.27 76.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.44 -51.93 67.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -57.25 -51.65 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.463 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 59.8 mt -54.93 -35.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.9 -28.36 64.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 6.3 mttp -73.72 -46.47 45.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 38' ' ' ILE . 7.8 m -75.69 -34.64 29.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.98 35.22 19.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -171.98 150.0 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.608 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -111.45 156.77 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -95.6 74.49 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -53.36 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -52.42 110.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -15.18 59.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.04 13.65 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 16.7 t80 -164.99 67.43 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.8 mt -126.65 73.3 74.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.27 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.91 76.1 28.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -74.96 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -24.96 59.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 p -67.64 -54.14 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.21 -54.99 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -39.89 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.07 -38.62 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.21 99.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.9 mt -62.73 -39.67 94.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -72.71 -52.3 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -44.73 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.5 t -57.42 -51.21 70.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.56 -42.48 91.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.467 ' CE1' HD21 ' A' ' 99' ' ' LEU . 8.6 t80 -55.9 -51.24 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -51.47 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.41 -27.77 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 15' ' ' PHE . 5.0 tp -69.47 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 99' ' ' LEU . 27.4 pt -48.47 -34.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 67' ' ' PHE . 11.6 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -112.2 -179.43 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 137.04 87.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 150.11 37.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.79 69.67 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.45 -15.25 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 109' ' ' LYS . 29.7 t80 -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.97 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -78.8 -17.54 55.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 40' ' ' LYS . 1.7 pt -121.61 7.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.51 -23.43 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -83.91 -38.17 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 9.0 m-85 -98.26 36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 52.9 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 1.1 mt-10 70.38 6.7 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.41 -57.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -56.97 -53.88 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.09 -58.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -32.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.8 mmt -88.95 -57.12 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -86.92 159.09 52.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -74.99 -32.39 5.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 5' ' ' THR . 4.4 t70 -53.27 -29.5 33.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -40.55 48.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 26' ' ' LEU . 3.0 tp -53.17 -50.27 64.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.84 -30.55 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 6.2 t -65.22 -31.25 72.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -97.02 -42.16 8.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -73.99 125.47 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.06 31.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -106.42 115.86 30.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.36 -30.65 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -61.69 -38.96 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -73.35 -44.11 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -59.05 -51.08 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -52.66 -49.6 64.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 72' ' ' ASN . 4.8 ttt-85 -46.98 142.48 5.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.5 Cg_endo -74.96 157.6 42.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.13 -32.74 73.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 3.6 pt-20 -62.5 -34.46 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 12.5 mt -86.41 -44.95 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CD2' HD22 ' A' ' 9' ' ' LEU . 13.9 mt -49.79 -50.6 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -44.68 94.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -54.95 -40.04 69.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -72.33 -44.02 63.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -39.1 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -29.87 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.24 74.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 t -67.67 -27.41 66.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.69 76.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -76.64 -38.68 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 mt -66.73 -50.45 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 70.5 mt -59.33 -35.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.75 -25.74 67.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.8 -46.84 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' GLY . 27.2 m -86.94 5.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.52 41.13 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 142.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.602 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -119.01 175.49 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.7 89.67 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.73 39.72 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.3 m-20 -143.51 112.43 6.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.7 -23.3 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.1 25.53 4.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . 81.4 t80 -174.52 57.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 51' ' ' ILE . 43.2 mt -132.24 71.85 79.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.65 41.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -137.62 79.02 35.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -82.8 -20.3 36.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.08 -56.79 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.42 -55.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -47.89 -46.11 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.91 -44.57 65.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.16 76.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -41.12 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.16 -42.51 98.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -67.07 -47.13 72.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -49.44 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 84.0 p -57.35 -34.97 69.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.32 -40.71 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HD21 ' A' ' 99' ' ' LEU . 2.9 t80 -59.3 -55.05 39.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 11.2 m-85 -66.53 -51.24 58.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -53.07 -27.5 20.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 tp -76.38 -48.0 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' HD22 ' A' ' 99' ' ' LEU . 28.2 pt -93.77 28.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 26.3 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 67' ' ' PHE . 1.3 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -99.71 175.42 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 154.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -112.93 48.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 m -95.26 16.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.34 -44.61 67.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.86 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.81 -45.55 81.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.2 pt -79.53 -29.43 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ttpt -50.78 -22.61 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -44.8 76.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 111' ' ' TYR . 25.6 p90 -128.49 52.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 1.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.08 5.64 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.99 -49.96 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -46.98 71.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.19 -55.28 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.55 -31.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.5 mmt -89.28 -60.04 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 30' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.506 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 1.5 t -100.04 150.99 37.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -21.31 15.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -30.26 68.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.473 ' HG3' ' CG2' ' A' ' 5' ' ' THR . 34.0 mt-10 -75.47 -36.29 60.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 26' ' ' LEU . 4.2 tp -52.53 -50.76 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 19' ' ' LYS . 12.7 pttt -68.35 -36.77 79.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -58.94 -38.99 80.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -83.15 -41.03 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -74.42 149.86 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 m -104.88 -20.62 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 1.4 m-85 -59.83 127.84 33.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.3 tt0 -65.18 -26.83 68.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 m -61.83 -50.33 72.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.97 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' CG ' ' HB2' ' A' ' 10' ' ' LYS . 4.3 mttm -66.43 -54.61 22.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 24.1 p -52.57 -51.37 60.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' CG ' ' HD2' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -39.39 146.29 0.36 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.01 155.7 42.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -32.3 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.12 -28.09 69.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -91.7 -40.06 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 9' ' ' LEU . 51.5 mt -49.91 -51.09 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.42 90.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -38.71 68.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -77.23 -33.36 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 4' ' ' ILE . 8.3 mt -70.5 -51.43 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.29 -32.35 62.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.85 -29.53 55.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.96 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.453 ' CB ' HD12 ' A' ' 61' ' ' LEU . 1.1 t -62.81 -31.72 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.62 84.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -50.74 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.423 HG22 ' CG2' ' A' ' 108' ' ' ILE . 15.5 mt -57.63 -38.33 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.43 -35.1 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -23.11 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -80.94 -46.95 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.76 -26.06 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.1 40.61 50.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -176.78 137.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -98.22 -174.46 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -124.83 80.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -90.37 -57.37 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.57 113.79 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -14.38 55.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 10.2 tt0 -91.43 16.8 9.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 38.3 t80 -167.26 63.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 45.3 mt -132.11 68.41 80.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -127.94 85.34 60.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -75.0 -171.62 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.54 -20.19 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' VAL . 12.3 p -73.24 -56.98 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 54.6 t -56.18 -52.68 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -52.26 -46.81 65.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 63' ' ' LYS . 2.4 tp -65.08 -50.77 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.97 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD12 ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -65.05 -47.06 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.4 -37.86 87.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HD2' ' CD1' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.0 -52.92 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 m -58.87 -37.49 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.65 -45.4 65.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 99' ' ' LEU . 2.8 t80 -58.36 -52.19 66.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.88 -53.83 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.06 42.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 15' ' ' PHE . 6.3 tp -69.3 -67.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 ' CG2' HD21 ' A' ' 99' ' ' LEU . 3.5 pt -58.5 -44.38 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -100.9 160.64 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -44.16 160.63 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.62 36.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 85.24 7.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.27 16.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -41.15 87.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.63 63.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.16 -40.66 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.423 ' CG2' HG22 ' A' ' 37' ' ' ILE . 11.9 pt -86.76 -16.54 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -53.28 -21.04 4.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -25.47 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 82.0 m-85 -133.19 46.91 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 123' ' ' GLU . 87.8 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 122' ' ' ILE . 12.2 mt-10 66.55 8.19 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.64 -48.85 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -52.97 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.8 t -48.79 -49.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -29.75 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.02 -47.9 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.07 167.1 15.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.23 4.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -49.35 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -62.49 -38.0 88.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.85 -50.9 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 pttt -69.16 -31.09 69.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.19 -37.06 83.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 4.0 t80 -89.17 -44.4 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -74.87 146.2 42.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 26.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -92.64 137.64 32.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 20' ' ' THR . 2.4 tt0 -66.72 -37.48 84.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -50.96 70.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.58 -39.83 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -55.01 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 30.1 p -53.87 -48.11 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 144.17 5.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.97 28.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.49 -35.57 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.06 -27.74 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.9 -43.99 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' CD1' HD22 ' A' ' 9' ' ' LEU . 21.2 mt -55.04 -47.01 75.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -59.04 -44.26 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.82 -36.62 67.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -48.64 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -53.41 -36.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.36 -36.79 74.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.12 -25.01 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.52 -45.29 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 35' ' ' ALA . 14.8 t -60.03 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 34' ' ' THR . . . -62.74 -42.55 99.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.26 -49.89 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 mt -59.63 -42.48 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.5 mt -62.47 -35.31 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -24.09 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 2.8 mttp -75.09 -46.6 33.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.0 m -81.75 -34.14 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.97 25.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -147.71 135.46 21.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.562 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.86 15.85 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 39.6 79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -100.84 -40.32 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 118.12 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.06 46.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -94.8 15.88 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 29.0 t80 -164.57 61.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 34.7 mt -134.61 66.37 69.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.33 31.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -139.08 73.38 38.43 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -40.11 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 t -55.25 -43.07 74.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.24 -52.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -51.99 -37.5 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.46 -47.04 52.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.13 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -41.89 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.99 -45.25 83.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.22 -47.71 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -43.74 96.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 46.8 t -57.7 -44.64 86.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -71.39 -38.12 71.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 99' ' ' LEU . 2.3 t80 -62.56 -49.14 76.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -72.89 -52.73 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.69 -26.82 15.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.64 -42.18 71.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 99' ' ' LEU . 1.9 pt -97.96 22.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 67' ' ' PHE . 6.2 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -91.69 154.17 19.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NZ ' ' A' ' 40' ' ' LYS . 6.4 mttt -40.84 150.24 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 154.01 41.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -78.06 68.31 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.41 -11.69 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -51.61 -33.29 32.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -29.64 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.28 -49.46 49.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 13.8 pt -72.97 -14.43 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -31.27 64.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -13.8 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 74.3 m-85 -140.88 41.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 2.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.1 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.51 1.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.84 -56.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -36.72 80.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.96 -50.77 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -38.71 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.38 -62.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 p -47.47 160.06 0.39 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.9 8.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -35.06 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.94 -33.75 74.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.17 -51.03 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.3 pttm -70.29 -30.69 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.9 t -64.1 -27.07 68.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.483 ' OH ' ' CD1' ' A' ' 59' ' ' LEU . 5.7 t80 -98.92 -43.21 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 p -79.65 132.01 36.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 m -95.8 41.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 4.7 m-85 -111.01 126.6 54.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.9 tp10 -67.98 -35.72 78.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -59.92 -37.33 79.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.39 -33.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -69.81 -54.14 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 60.1 p -48.03 -46.92 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.09 150.19 1.47 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.62 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.94 -26.69 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.63 -28.93 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.55 -46.56 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 11.5 mt -48.71 -50.81 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 25.4 pttt -57.57 -41.93 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 33.0 mt-30 -60.49 -44.39 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.07 -45.31 81.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -50.15 -31.48 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.0 -35.46 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 35' ' ' ALA . 6.7 t -61.4 -24.07 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' HG23 ' A' ' 34' ' ' THR . . . -60.33 -46.65 89.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.48 -49.92 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 108' ' ' ILE . 4.2 mt -58.36 -34.97 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.2 -38.52 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -31.35 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.5 mttm -65.64 -47.08 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' CE1' ' A' ' 43' ' ' HIS . 28.5 m -80.42 -23.94 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.38 39.35 36.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 41' ' ' VAL . 6.2 p80 -171.17 145.52 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.24 162.96 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -99.55 72.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -62.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.0 110.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 51' ' ' ILE . . . -63.32 -16.27 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.69 11.76 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.4 t80 -162.99 67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 62.6 mt -134.06 64.15 64.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 147.17 33.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 tp -123.98 82.52 55.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.17 27.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.57 -38.26 90.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -55.59 -54.38 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.24 -52.88 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -47.46 -47.73 27.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' ' OH ' ' A' ' 12' ' ' TYR . 6.4 tp -61.6 -45.43 94.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.77 -41.4 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -43.23 82.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -63.51 -42.25 98.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -67.12 -50.78 60.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -43.67 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.1 t -56.96 -43.16 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.608 ' NE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 tt0 -70.08 -46.16 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 99' ' ' LEU . 5.1 t80 -53.64 -50.8 64.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.7 m-85 -70.74 -52.94 17.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.29 -26.92 31.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.09 -69.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CG2' HD22 ' A' ' 99' ' ' LEU . 24.8 pt -60.42 -16.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' TYR . 19.3 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 67' ' ' PHE . 3.0 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.78 156.1 17.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -43.97 143.35 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.79 30.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.56 72.59 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 33.5 m -96.15 13.2 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' LYS . 14.6 t80 -70.12 -33.3 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.59 -25.68 65.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -44.25 48.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 37' ' ' ILE . 1.3 pt -93.7 7.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 105' ' ' TYR . 11.4 tttp -64.39 -19.9 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.14 -46.02 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -77.99 -32.77 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 65.56 9.25 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.57 -42.32 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -51.47 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.23 -54.41 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -42.26 -32.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -61.98 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.403 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 8.9 t -100.02 146.26 31.61 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.95 -10.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.59 -30.91 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.27 -35.66 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.436 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.98 -50.89 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -66.93 -30.98 71.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.3 t -64.08 -31.43 72.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -96.01 -25.34 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -92.16 141.08 28.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.3 24.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 70' ' ' LEU . 1.1 m-85 -99.22 125.48 44.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.5 -33.76 71.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.67 -42.54 97.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.09 -36.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -53.87 30.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 p -55.78 -49.12 74.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 72' ' ' ASN . 1.1 ttt85 -40.58 135.97 1.49 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' CG ' HD11 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 167.37 27.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.77 -36.04 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.1 -34.77 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 22' ' ' PRO . 41.9 mt -86.1 -44.96 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 9' ' ' LEU . 21.5 mt -54.51 -41.41 69.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -57.24 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -54.94 -37.15 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 22.3 t70 -66.63 -42.04 87.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.27 -37.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.82 -40.33 69.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -61.26 -28.62 69.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.07 61.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -24.92 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.28 88.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.71 -44.86 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.424 ' CG2' HG22 ' A' ' 108' ' ' ILE . 36.9 mt -58.88 -42.4 85.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' GLY . 86.4 mt -64.58 -40.07 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.44 -25.08 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' CB ' HD12 ' A' ' 108' ' ' ILE . 8.9 mtpt -76.79 -45.62 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 14.0 m -89.77 8.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.64 43.81 1.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -170.42 144.38 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.641 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.74 156.18 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.7 84.74 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 -56.49 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.68 107.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.85 -19.31 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 12.35 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 48.9 t80 -163.81 67.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.3 mt -123.76 76.59 56.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -142.94 76.22 17.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.02 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -19.52 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.9 p -73.98 -46.82 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.01 -55.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -51.31 -43.76 61.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 tp -73.2 -38.04 66.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.97 -43.76 97.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 65' ' ' SER . 0.2 OUTLIER -74.25 -37.95 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.56 -37.89 87.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -73.57 -52.63 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 HD13 ' CG2' ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.02 -50.26 74.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 80.6 p -56.43 -40.32 74.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -67.29 -30.75 70.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -77.44 -47.63 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -26.65 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -64.91 -53.91 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 pt -75.28 -42.61 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' A' ' 21' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CD1' ' H ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' H ' ' CD1' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -125.23 -172.7 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 133.17 9.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.99 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.44 77.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 15.1 m -91.38 21.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' LYS . 1.9 t80 -70.62 -42.79 70.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.22 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.91 -47.82 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 40' ' ' LYS . 4.9 pt -89.52 -0.35 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -61.52 -31.86 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.63 -7.59 54.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -134.01 23.42 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 67.85 8.35 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.15 -33.69 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.35 -18.48 45.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.25 -55.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -20.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 ttp -87.23 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.475 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 1.5 t -111.79 150.02 41.66 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.97 -20.02 17.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -68.47 -30.78 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -77.04 -35.51 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.96 -48.9 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -32.59 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.04 -41.9 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.2 t -81.13 126.0 30.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.72 42.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.66 126.66 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.78 -16.2 62.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -70.39 -41.25 73.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.33 -33.21 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -55.32 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 t -51.99 -21.31 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -73.67 141.58 79.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.68 -25.54 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -70.12 -29.8 66.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.7 mt -92.17 -46.72 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.3 mt -43.26 -44.78 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.47 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.14 -41.46 68.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.26 -31.27 71.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 mt -69.73 -50.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 31' ' ' LEU . 6.2 mt -62.39 -33.05 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -33.07 71.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.94 56.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -41.45 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.79 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.89 -55.39 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.92 -43.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.53 -35.39 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.54 -41.68 62.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 47.9 mttm -58.04 -44.87 87.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' HB ' ' NE2' ' A' ' 43' ' ' HIS . 26.7 m -75.0 -21.79 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 41.14 73.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 33.2 p80 -176.04 136.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.63 165.22 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' SER . 39.5 m-85 -98.75 -65.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' PHE . 27.0 m 36.45 64.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' CB ' ' HB3' ' A' ' 50' ' ' TYR . 3.1 m-20 -168.31 114.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.52 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -107.54 19.64 19.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 27.3 t80 -167.6 54.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 32.2 mt -132.65 66.18 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.51 12.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.59 77.14 46.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.06 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.4 p -52.45 -57.7 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.367 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 -55.52 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -47.41 -44.89 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.3 -42.78 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.96 -42.61 99.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.05 74.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.68 -45.06 93.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -68.42 -48.52 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -47.54 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 m -56.78 -37.82 71.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.93 -35.73 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 71' ' ' ILE . 7.3 t80 -63.18 -45.84 89.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -54.0 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.73 -26.86 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.9 tp -75.09 -51.06 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.524 HD11 ' CE1' ' A' ' 67' ' ' PHE . 14.0 pt -91.93 30.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 71' ' ' ILE . 3.0 tt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -100.84 -174.87 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.6 mptt -54.74 158.16 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.02 80.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 6.5 m -116.61 20.19 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.19 -36.82 80.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.23 66.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.14 -52.99 12.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 112' ' ' VAL . 3.7 pt -70.52 -22.0 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -51.04 -22.26 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 47.0 t0 -58.21 -51.19 70.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 110' ' ' ASP . 1.0 OUTLIER -119.73 50.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.474 ' CG2' HG13 ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 72.26 5.03 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -52.94 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -52.57 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 67.5 t -50.51 -53.79 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -32.86 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -83.4 -61.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 61' ' ' LEU . 6.6 pt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -116.36 167.9 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.01 -33.95 4.18 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' N ' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -53.21 -50.62 64.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.93 -38.86 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 21.5 tp -52.59 -51.07 61.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -33.03 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -67.11 -33.49 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -90.81 -49.01 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -77.37 128.14 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -103.32 19.56 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.78 117.06 25.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -49.33 -24.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -71.44 -39.04 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 9' ' ' LEU . 61.5 t -75.86 -32.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -68.21 -55.43 12.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 t -58.43 -37.55 75.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.465 ' CZ ' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.53 131.58 2.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.96 142.01 27.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.64 -34.63 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.26 -28.34 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 21' ' ' ARG . 24.5 mt -89.69 -52.53 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 21.3 mt -46.0 -45.34 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -56.25 18.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -58.6 -41.48 85.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.75 -47.98 82.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.63 -50.35 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.99 -40.65 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -55.0 -33.42 62.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.426 HG21 ' CD1' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -47.21 -48.88 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.82 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.1 -55.46 16.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 108' ' ' ILE . 5.4 mt -61.84 -33.39 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 14.9 mt -73.18 -35.45 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.54 -22.99 61.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -75.58 -43.99 45.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 112' ' ' VAL . 32.3 m -84.6 -24.29 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 67.62 38.98 90.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 99.5 m-70 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -92.18 159.27 15.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 102.01 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.2 -41.49 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.47 119.45 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.97 -16.51 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -87.17 9.77 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 49.3 t80 -161.8 65.32 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 59.0 mt -138.72 64.48 36.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 151.86 39.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tp -137.64 76.34 42.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.34 33.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.18 -39.09 81.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 57' ' ' VAL . 14.8 t -54.19 -44.96 72.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 56' ' ' THR . 3.3 t -68.66 -54.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HA ' ' CG2' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -48.03 -38.81 18.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.5 -49.61 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.27 -46.16 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -69.34 -43.43 73.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.84 -36.77 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -72.94 -51.68 17.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.58 -47.72 81.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.34 -49.56 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.69 -32.53 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 99' ' ' LEU . 5.3 t80 -70.29 -51.57 29.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -49.69 61.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.59 -27.28 38.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.39 -46.1 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.459 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 37.6 pt -93.07 29.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.507 HD21 ' CE1' ' A' ' 67' ' ' PHE . 4.1 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.17 170.4 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.09 143.43 53.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.01 34.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.31 75.79 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.26 10.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.77 -34.54 78.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.29 -24.79 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.14 -43.4 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 37' ' ' ILE . 34.6 pt -88.62 12.19 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -53.33 -32.05 47.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.74 -44.88 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -72.73 -47.2 48.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 41' ' ' VAL . 78.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.01 5.74 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.94 -54.6 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -63.85 -53.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -52.66 -51.03 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -47.44 -29.68 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 ttp -92.65 -48.9 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.416 ' CD1' HD13 ' A' ' 61' ' ' LEU . 2.2 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -99.77 158.58 31.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -17.41 19.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -34.23 65.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.72 -37.48 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -56.15 -49.98 72.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.33 -31.41 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.9 t -59.95 -41.82 92.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -87.28 -48.6 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -65.56 118.81 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 m -92.07 38.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.58 114.95 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.04 -28.12 16.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -64.32 -38.88 92.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.19 -32.97 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -67.92 -55.24 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' ARG . 9.3 t -54.69 -44.3 73.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -45.77 133.49 6.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.28 42.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -66.62 -35.42 80.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.14 -32.14 70.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 26.0 mt -90.06 -43.74 10.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.8 mt -52.67 -41.83 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -56.64 -61.19 2.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.26 -32.65 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 12.6 m-20 -73.42 -41.25 63.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.2 mt -60.88 -50.19 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.55 -30.57 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.21 75.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -76.49 -45.98 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.42 ' CA ' HD23 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -57.97 -39.0 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.97 -33.98 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.59 -48.43 32.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.44 ' CD1' HD22 ' A' ' 61' ' ' LEU . 41.9 mt -61.91 -36.35 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.27 -35.18 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.1 -22.85 61.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -75.34 -47.03 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 42' ' ' GLY . 26.9 m -78.5 -32.03 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 78.32 36.17 31.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 91.5 m-70 -160.08 143.26 13.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 0.78 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -113.94 142.98 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.41 104.04 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -129.79 39.87 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.14 109.94 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.44 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 26.01 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 53.1 t80 179.17 61.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 18.3 mt -125.8 76.85 70.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.08 32.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.436 1.756 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tp -169.46 72.54 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.95 -176.57 2.93 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -38.77 81.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.0 p -54.05 -48.7 70.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.94 -51.62 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -38.18 65.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.78 -48.4 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.9 83.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -70.14 -40.48 74.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 10.7 mt -63.5 -39.3 94.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -70.84 -52.55 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.2 -47.77 84.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 21.0 t -57.92 -40.9 81.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.143 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.41 -41.8 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' HD23 ' A' ' 99' ' ' LEU . 22.4 t80 -55.24 -57.15 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 -46.58 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.0 -30.94 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.77 -48.97 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.2 pt -92.78 27.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD23 ' CD1' ' A' ' 67' ' ' PHE . 2.2 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.97 162.15 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -41.06 147.53 0.42 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.11 72.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.4 23.34 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.6 t80 -69.28 -44.9 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.93 -25.64 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.39 -44.39 65.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.8 pt -83.67 -19.37 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 10.3 ttpt -56.26 -20.4 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -62.89 -43.63 98.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -122.05 42.43 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 69.12 7.48 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.11 -56.35 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -57.26 -49.79 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.61 -52.34 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -27.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.1 mmt -91.47 -52.64 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -120.17 166.26 15.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -32.57 5.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 59.5 m-20 -50.3 -34.13 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.5 -36.75 52.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.423 ' CD2' HD23 ' A' ' 26' ' ' LEU . 10.5 tp -52.83 -48.92 66.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.94 -32.69 71.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -61.35 -38.7 87.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 12.4 t80 -86.34 -44.1 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -83.03 122.59 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -95.04 26.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -93.76 133.09 37.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.38 -34.25 76.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 m -58.8 -43.4 90.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.12 -40.69 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -53.24 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -56.94 -20.05 21.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 134.47 80.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.84 43.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.92 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.29 -42.53 77.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.87 -43.88 34.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 9' ' ' LEU . 15.6 mt -55.68 -40.41 72.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -58.59 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -55.38 -28.99 57.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -76.91 -51.95 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -50.9 -50.76 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.86 -33.04 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -37.95 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.89 -35.72 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -53.55 -36.82 62.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.2 74.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -56.83 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -57.9 -50.37 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.0 -36.18 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.23 -29.81 60.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -70.02 -46.23 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.49 -29.85 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.07 41.6 31.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -176.01 127.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.596 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.81 177.79 5.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.95 84.25 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 -49.43 5.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 113.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.57 -18.09 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.41 11.35 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.523 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 43.4 t80 -162.67 67.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 32.4 mt -129.89 70.19 81.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.14 41.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -153.85 77.78 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.822 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -81.64 -31.69 32.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -62.74 -55.58 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -58.13 -54.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -54.42 -36.13 63.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.02 -48.03 39.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.87 -41.5 82.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -42.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 5.3 mt -58.59 -44.45 89.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -65.01 -50.14 67.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.15 -44.55 87.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -59.25 -36.54 75.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -77.04 -40.76 45.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 99' ' ' LEU . 7.6 t80 -52.99 -56.22 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.95 -49.75 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.0 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 11.2 tp -75.88 -49.03 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.0 pt -92.62 29.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.38 118.34 24.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.65 117.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.33 8.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.4 69.4 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 10.4 m -119.26 15.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -43.43 70.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.77 -25.05 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -52.07 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' TYR . 19.2 pt -75.2 -21.59 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -49.03 -23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -37.95 85.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.2 m-85 -119.33 45.32 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.24 3.81 4.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.9 -56.87 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -48.29 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.5 -43.58 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -31.21 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -35.95 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CD1' HG23 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -107.36 163.64 16.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.06 18.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -31.53 49.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.73 -30.97 56.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -50.89 71.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 3.0 pttt -67.76 -31.63 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -52.84 -40.77 63.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -91.42 -47.09 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.1 t -59.13 145.38 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -119.47 30.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -107.76 116.89 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -52.18 -29.04 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -62.97 -42.51 99.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.22 -40.58 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -63.91 -46.6 84.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 22.4 p -61.09 -54.74 40.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 145.03 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 158.79 42.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -64.09 -46.32 84.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.74 -48.12 63.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.7 -43.8 83.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.09 -42.93 69.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -54.95 41.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -54.95 -35.86 64.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.0 -51.06 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.418 HG23 ' CD1' ' A' ' 4' ' ' ILE . 60.8 mt -53.5 -50.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.25 -32.4 72.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.64 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.11 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.3 m -58.84 -37.29 76.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.433 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.11 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -54.99 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -61.79 -43.62 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.7 mt -58.47 -40.61 79.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.58 -26.72 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 1.1 mttt -75.43 -46.95 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.579 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.2 m -84.79 1.41 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.76 40.49 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 5.3 p80 -174.42 143.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.773 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -112.64 -179.14 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.66 90.98 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -101.68 -59.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -42.03 107.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 -20.9 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.38 21.55 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.0 t80 -173.4 63.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 12.6 mt -123.54 76.41 54.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tp -144.02 79.42 13.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.13 -18.53 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 p -73.5 -48.55 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 111' ' ' TYR . 24.9 t -62.85 -54.79 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -52.39 -45.72 65.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.48 -50.97 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -53.09 -44.69 67.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -41.63 69.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.49 -41.51 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -70.96 -52.45 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.11 -52.86 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -56.95 -53.18 60.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.34 -42.59 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 99' ' ' LEU . 1.5 t80 -58.68 -47.85 83.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.89 -55.76 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.97 -30.42 34.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 15' ' ' PHE . 4.8 tp -61.52 -71.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CG2' HD23 ' A' ' 99' ' ' LEU . 2.8 pt -54.9 -38.39 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 67' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.478 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 1.8 pm0 -102.93 149.64 24.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.88 157.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.21 33.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.94 86.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 14.0 m -126.0 20.07 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.66 -44.72 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.11 65.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.09 -29.19 68.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.503 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 24.6 pt -98.27 -14.74 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -68.57 -9.07 47.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.17 -36.27 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 111' ' ' TYR . 28.6 p90 -132.39 47.97 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.38 6.35 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -57.28 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -36.36 79.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.63 -36.4 76.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -74.29 -20.73 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.0 mmt -93.09 -59.37 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.541 ' CG2' ' HB2' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -124.69 167.64 15.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -34.13 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.541 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 1.1 m-20 -51.29 -51.05 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.01 -40.3 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -51.02 62.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.94 -29.02 66.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.7 t -65.98 -34.01 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -87.2 -45.79 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -72.06 139.57 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -107.42 31.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -106.98 129.23 54.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.12 -24.35 67.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -66.02 -47.75 73.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.05 -33.1 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -71.32 -40.57 70.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 p -67.34 -50.78 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.66 146.3 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.59 39.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.49 -27.14 65.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -30.85 70.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 mt -90.43 -48.62 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -44.37 -45.96 9.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.25 -47.25 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.15 -43.35 74.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.68 -39.21 67.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.8 mt -60.13 -33.0 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.22 -31.62 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -31.52 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.12 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -30.17 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.5 80.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.15 -52.01 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.79 -36.1 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.454 HD12 ' CB ' ' A' ' 44' ' ' ASP . 20.2 mt -74.65 -36.46 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.4 -23.96 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -77.25 -46.8 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.92 3.53 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.61 40.4 2.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -171.39 141.84 1.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' CB ' HD12 ' A' ' 38' ' ' ILE . 19.7 p-10 -113.46 167.18 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -100.22 88.22 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -92.68 -73.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -40.43 113.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.31 -15.13 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 14.79 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 27.7 t80 -165.11 65.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 51' ' ' ILE . 23.1 mt -127.6 72.67 78.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.15 17.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.21 79.63 44.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.44 37.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.66 -17.47 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -74.84 -55.8 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 111' ' ' TYR . 55.6 t -55.44 -53.06 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -45.7 70.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.45 -50.55 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.78 69.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -38.98 65.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.5 -37.19 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -72.59 -47.34 48.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.21 -46.02 88.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 31.0 t -58.72 -44.41 90.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.2 -43.91 85.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -56.21 -56.25 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -66.3 -50.01 65.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.3 -29.46 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.1 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -58.03 -45.22 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.12 175.64 5.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.61 153.71 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -177.07 3.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.564 1.823 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.7 66.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 m -106.12 18.92 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.82 66.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.03 -38.52 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 47.2 pt -87.25 -27.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -53.48 -20.96 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.02 -41.19 74.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 57' ' ' VAL . 41.8 p90 -125.92 40.24 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 65.5 8.23 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.7 -55.76 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -53.48 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.94 -50.86 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -29.74 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.1 -47.32 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -129.82 163.17 48.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HA ' ' CD1' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -25.86 11.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -30.86 68.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.94 -39.35 61.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.43 ' CD2' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.89 -48.43 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.9 -29.44 66.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.79 -29.22 70.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -97.28 -44.31 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p -75.45 137.56 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -106.51 24.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.0 129.4 43.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 20' ' ' THR . 2.7 tt0 -66.08 -31.77 72.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 t -58.38 -36.09 72.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.4 t -75.14 -44.45 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -55.43 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 74.4 p -46.8 -58.14 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.0 143.81 0.46 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.65 34.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -69.84 -38.81 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -60.32 -27.4 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.92 -49.5 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 9' ' ' LEU . 11.8 mt -43.68 -42.93 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -45.5 84.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -54.96 -46.12 74.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 69' ' ' ALA . 51.2 t0 -65.68 -33.36 75.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 6' ' ' PRO . 50.5 mt -68.71 -51.18 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 mt -59.28 -32.98 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -31.73 68.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.19 -44.87 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 -24.38 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.45 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.87 -50.12 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.0 -32.75 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.648 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 15.5 mt -64.0 -38.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -32.13 55.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 23.7 mttm -66.32 -45.86 78.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -84.92 -24.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.21 19.68 68.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.567 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 88.8 m-70 -132.14 128.15 37.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PHE . 1.4 p30 -94.01 14.53 19.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER 35.67 92.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.475 ' CA ' HD12 ' A' ' 51' ' ' ILE . 23.2 t -117.75 -59.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -38.13 122.43 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.21 54.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -168.79 -36.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 54.3 t80 -103.69 39.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 HD12 ' CA ' ' A' ' 46' ' ' SER . 96.4 mt -119.03 68.93 9.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -75.01 147.78 34.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.437 1.756 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tp -132.77 80.14 62.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.0 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -79.1 -30.91 44.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -61.32 -53.5 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -60.8 -52.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -53.58 -42.28 67.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.95 -42.2 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 104' ' ' VAL . . . -64.88 -41.51 95.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -44.34 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.88 -44.45 82.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -66.29 -49.29 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -48.38 81.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.03 -39.38 93.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.439 ' CZ ' HD12 ' A' ' 71' ' ' ILE . 5.2 t80 -59.81 -56.06 26.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.1 -48.48 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' OD2' ' A' ' 29' ' ' ASP . . . -54.21 -27.77 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -76.27 -48.5 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' CG2' HD23 ' A' ' 99' ' ' LEU . 19.2 pt -92.79 28.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.441 HD23 ' CG2' ' A' ' 71' ' ' ILE . 7.5 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -103.35 163.82 12.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.47 146.59 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.85 53.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.501 ' CG2' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -92.98 5.45 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 109' ' ' LYS . 40.7 t80 -54.4 -35.21 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.01 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.93 -26.02 63.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 18.4 pt -106.84 -10.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . 37.6 tptt -60.69 -15.28 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.37 -47.86 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 4.0 m-30 -89.89 -1.52 58.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.65 4.77 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.92 -56.39 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -57.95 -48.19 80.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.23 -53.7 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -33.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.85 -55.53 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 pt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 p -137.76 163.92 44.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.76 11.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.16 -33.07 69.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.44 -38.54 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.1 -50.18 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -34.34 72.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -59.56 -28.2 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.533 ' CD2' HD23 ' A' ' 62' ' ' LEU . 16.9 t80 -99.53 -47.02 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -75.14 121.86 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.77 36.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 70' ' ' LEU . 3.0 m-85 -100.09 130.19 46.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.43 -37.43 85.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -61.5 -50.26 73.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.04 -35.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -55.01 28.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 p -57.13 -46.93 82.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 134.47 1.02 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.48 41.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.2 -40.91 82.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.83 -32.07 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -88.21 -44.58 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.7 -43.44 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.19 -57.73 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -55.99 -32.91 64.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -73.99 -37.42 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -74.76 -39.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.72 -48.97 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.72 -36.74 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.7 76.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.96 64.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.52 81.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.88 -47.49 83.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 -40.45 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 mt -66.83 -38.27 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.34 -26.22 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -77.99 -45.31 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.9 m -88.03 -1.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 43.34 42.03 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.15 147.35 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 0.777 . . . . 0.0 109.605 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -102.41 155.21 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.45 41.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -108.36 62.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -132.17 110.95 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -28.22 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.7 pt-20 -98.15 45.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' C ' ' A' ' 51' ' ' ILE . 1.1 t80 -178.94 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.582 ' C ' ' O ' ' A' ' 50' ' ' TYR . 28.7 mt 25.58 62.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -74.98 133.39 16.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tp -167.72 72.46 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 Cg_endo -75.05 164.11 33.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.99 -23.63 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.9 p -67.99 -53.45 25.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.0 -53.77 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -42.56 24.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -73.09 -39.78 65.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.51 98.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -39.91 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 12' ' ' TYR . 8.9 mt -60.94 -40.67 94.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -71.76 -49.99 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -43.11 87.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 7.9 t -68.82 -46.39 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.65 -32.37 73.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 100' ' ' GLN . 2.9 t80 -71.84 -52.57 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -70.61 -45.66 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -59.27 -27.21 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 15' ' ' PHE . 5.6 tp -68.33 -70.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 pt -58.64 -37.37 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 10.7 m-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 67' ' ' PHE . 1.3 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.506 ' O ' ' CE2' ' A' ' 67' ' ' PHE . 2.5 pm0 -111.42 170.41 8.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.1 mttp -50.37 141.46 16.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.0 155.51 42.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.16 76.03 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -104.9 22.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' LYS . 81.9 t80 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 109' ' ' LYS . . . -61.72 -27.79 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.9 -41.39 78.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.6 pt -101.88 13.93 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.36 -27.21 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.29 -22.31 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 1.3 m-85 -110.02 25.1 12.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 0.7 OUTLIER 59.1 12.11 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.49 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -61.04 -50.81 71.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.71 -51.13 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.94 -31.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 mtm -95.33 -43.45 8.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.45 ' CD1' HG22 ' A' ' 30' ' ' ILE . 1.5 pt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -103.23 161.34 23.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.98 -24.14 13.15 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.08 -37.69 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.5 -37.7 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -56.03 -48.78 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.77 84.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -50.81 -30.77 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -95.81 -38.2 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -83.78 121.57 27.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.71 43.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -120.16 118.12 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 20' ' ' THR . 5.9 pt-20 -56.12 -22.3 27.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 p -61.85 -45.12 95.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.26 -34.88 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -63.62 -54.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 50.7 p -49.18 -60.77 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -41.59 136.12 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 5.2 p-10 -75.71 -40.34 55.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -57.6 -33.02 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.23 -52.35 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 6' ' ' PRO . 50.0 mt -46.75 -43.69 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.88 -53.6 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.01 -52.66 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 4' ' ' ILE . 38.4 mt -51.25 -48.91 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.71 -36.11 69.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -71.37 -30.95 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.89 -48.43 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.86 -36.88 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.63 25.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -73.02 -53.98 9.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.454 HG23 ' CG2' ' A' ' 108' ' ' ILE . 28.4 mt -56.92 -36.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -68.35 -35.04 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.24 -28.46 62.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CB ' ' CD1' ' A' ' 108' ' ' ILE . 1.5 mttp -72.51 -44.56 62.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 43' ' ' HIS . 11.8 m -86.55 1.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.85 36.5 3.68 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 41' ' ' VAL . 3.5 p80 -164.15 145.97 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.47 163.52 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.38 94.74 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -65.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.18 113.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.42 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.77 9.67 15.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 46.2 t80 -157.71 65.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 36.0 mt -133.41 66.1 73.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.76 26.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -135.04 81.56 44.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.03 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.29 -32.88 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -61.09 -47.51 85.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.23 -51.1 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -38.94 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.59 -47.22 73.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.97 -42.65 85.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -71.03 -44.18 66.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.6 mt -60.63 -36.9 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.03 -49.33 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 13.4 mt -61.62 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.416 ' OG ' ' CD1' ' A' ' 61' ' ' LEU . 57.8 m -57.06 -53.15 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 15.6 tt0 -61.01 -38.03 84.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -64.0 -43.07 96.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' LEU . 27.8 m-85 -72.3 -57.22 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -31.96 62.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.548 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 6.1 tp -59.34 -66.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 99' ' ' LEU . 11.3 pt -57.74 -48.58 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 5.4 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 71' ' ' ILE . 6.1 tp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -104.14 179.46 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -54.04 142.31 46.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.02 146.0 32.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.26 67.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -108.51 -14.97 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -49.91 -36.65 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.53 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 104' ' ' VAL . 40.3 mt -80.26 -45.0 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.454 ' CG2' HG23 ' A' ' 37' ' ' ILE . 17.1 pt -81.33 1.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.94 -45.04 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.9 -18.56 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.9 m-85 -129.86 29.63 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 66.35 9.19 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.27 -34.63 11.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.85 54.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.18 -59.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -18.25 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -62.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -92.89 158.22 38.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.88 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -35.87 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -36.79 67.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 7.0 tp -57.45 -47.83 80.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -66.62 -32.59 74.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 t -59.63 -35.7 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 29.9 t80 -93.06 -39.48 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 t -99.13 115.27 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 m -93.72 36.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -91.19 138.45 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.1 93.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -63.37 -36.31 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.03 -42.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.4 -54.7 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -55.75 -32.86 63.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -58.08 137.35 84.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.72 22.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -41.72 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.73 -37.62 66.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' NH1' ' A' ' 21' ' ' ARG . 24.1 mt -79.86 -54.02 6.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' CD2' ' A' ' 9' ' ' LEU . 20.4 mt -45.09 -47.12 11.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -54.21 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.87 -42.3 71.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.36 -50.77 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -49.42 -47.19 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.08 -48.35 58.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.86 -28.38 56.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.83 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 35' ' ' ALA . 1.4 t -51.76 -26.02 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 34' ' ' THR . . . -62.25 -38.02 87.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -68.27 -46.86 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.71 -44.47 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.1 mt -60.19 -35.11 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.74 -38.0 54.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 25.9 mttm -60.03 -44.38 94.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.1 m -88.43 -20.45 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 67.88 34.75 83.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 63.7 m-70 -146.7 127.94 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -102.86 123.28 46.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.33 92.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -108.96 -64.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -43.39 109.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.84 -17.95 19.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.75 14.24 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 45.8 t80 -165.02 66.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.3 mt -124.94 75.02 66.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 37.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -148.99 72.59 10.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.98 -170.94 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -41.62 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -52.99 -55.58 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.25 -55.2 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.35 -44.38 44.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.02 -50.21 43.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.6 -45.44 66.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -42.3 72.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 17.1 mt -59.17 -40.46 85.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.47 -46.09 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -42.19 97.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 1.2 m -58.2 -47.43 83.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -68.14 -42.04 80.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 100' ' ' GLN . 8.2 t80 -58.93 -53.83 53.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.19 -52.69 25.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.71 -26.68 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 71' ' ' ILE . 7.0 tp -69.97 -76.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 99' ' ' LEU . 0.9 OUTLIER -52.5 -25.47 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 71' ' ' ILE . 5.0 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.593 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 34.0 mm-40 -130.52 -174.6 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -45.93 130.07 7.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.43 64.12 6.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.28 -8.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.92 -35.12 72.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.09 -26.61 63.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.0 mt -73.87 -52.06 14.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 1.1 pt -70.34 -16.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -49.15 -38.41 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -27.84 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 45.5 m-85 -127.37 43.16 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 65.82 9.3 5.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.43 -37.43 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -79.09 -21.87 46.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.88 -55.34 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -23.88 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.0 tpp -80.36 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.556 0.217 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -40.77 138.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.34 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.5 124.84 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 1.6 m -56.51 147.23 50.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -30.65 7.02 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -67.63 -37.42 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.18 -30.96 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -46.71 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.64 -29.62 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -60.22 -37.93 81.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -94.43 -23.6 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -96.57 119.68 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.77 35.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' HD23 ' A' ' 70' ' ' LEU . 3.0 m-85 -103.21 131.68 50.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -36.55 84.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -61.77 -43.03 99.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.91 -33.3 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.47 -51.76 39.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.2 p -56.14 -48.64 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 128.87 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.89 38.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -38.56 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 7.7 pt-20 -55.26 -42.6 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 78.2 mt -79.5 -50.45 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.15 -34.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.37 -54.7 21.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.49 -38.04 73.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.9 -50.16 37.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.39 -48.29 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.25 -40.35 93.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -26.76 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.66 -45.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -34.57 76.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.34 -33.06 41.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.85 -51.44 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.5 mt -57.27 -44.59 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.2 mt -59.75 -36.52 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.44 -35.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -63.08 -41.5 99.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -93.82 -10.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 37.33 92.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 113' ' ' LYS . 88.2 m-70 -151.48 142.56 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -117.67 117.72 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.86 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -106.81 -58.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.03 115.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -17.37 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.38 12.21 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 51.7 t80 -163.75 67.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 56.9 mt -132.24 67.61 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.39 42.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.79 73.91 27.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.73 -24.2 66.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -68.43 -55.61 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.79 -54.97 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -50.2 -42.45 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.94 -42.06 63.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.12 98.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -39.04 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.07 -41.11 96.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -70.61 -52.25 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -51.34 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.5 -33.94 76.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CE2' ' HG3' ' A' ' 101' ' ' LYS . 1.2 t80 -69.06 -55.85 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.446 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 2.1 m-85 -61.28 -56.23 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.49 -26.65 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD23 ' CE2' ' A' ' 15' ' ' PHE . 4.7 tp -73.6 -43.83 58.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 91' ' ' TYR . 3.5 pt -97.24 28.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.17 -55.98 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.51 66.22 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.39 -177.06 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -39.26 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.04 61.67 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 91' ' ' TYR . 97.7 mt -72.21 140.22 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.9 mt -75.58 153.43 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -174.95 158.05 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -34.24 95.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' LYS . 7.4 p90 -50.01 -27.38 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 82' ' ' THR . 3.5 m -131.48 21.04 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.49 171.68 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.093 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -97.08 -174.77 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -72.83 125.15 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.87 -148.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.44 51.26 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.97 -156.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.64 24.32 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 t -82.74 -146.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.574 ' CE1' ' HD3' ' A' ' 79' ' ' LYS . 78.1 m-85 52.57 54.77 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.0 m -65.7 120.84 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.68 164.42 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -22.12 62.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.84 -26.58 25.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.16 33.94 3.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -103.27 140.04 37.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.51 64.64 8.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.477 ' CD2' ' CE1' ' A' ' 67' ' ' PHE . 5.9 tt -48.05 109.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' C ' ' CE1' ' A' ' 67' ' ' PHE . 1.7 tt0 -109.7 170.36 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 67' ' ' PHE . 4.3 mttt -45.64 155.15 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.404 ' HD3' ' CG ' ' A' ' 67' ' ' PHE . 18.1 Cg_endo -75.03 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -120.26 83.84 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.2 m -117.2 10.68 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.68 -39.92 90.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.97 64.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.26 -46.66 66.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 111' ' ' TYR . 3.4 pt -82.4 -19.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.95 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -30.85 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' ILE . 3.4 m-85 -114.1 22.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.6 t -82.13 144.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 8.7 tmtt? -41.57 101.65 0.25 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.63 70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -119.46 143.21 34.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' OD1' ' CD1' ' A' ' 122' ' ' ILE . 2.2 t0 -92.61 34.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.01 -22.77 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 122' ' ' ILE . 1.0 OUTLIER -42.77 160.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.53 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.485 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 74.3 mt -116.61 157.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 66.75 8.38 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 -56.66 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -57.23 -54.5 46.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.83 -59.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -35.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 tpp -86.33 -59.15 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -24.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 43.9 t -76.45 -47.93 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' CB ' HD12 ' A' ' 31' ' ' LEU . 9.5 ptm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.522 0.201 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 -81.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 171.3 -34.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 30' ' ' ILE . 4.8 pt -56.7 179.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -124.7 160.64 52.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.03 10.39 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -74.24 -32.09 62.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.9 -40.72 75.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -54.48 -51.0 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.4 pttt -67.19 -32.27 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.9 t -61.29 -30.5 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -99.78 -42.85 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -69.49 131.02 44.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 m -103.5 35.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.25 119.88 39.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.95 -35.53 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t -59.55 -37.32 78.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.36 -35.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -68.78 -54.72 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -45.64 -54.73 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' NE ' ' OD2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -41.68 144.61 0.77 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.85 30.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -22.79 58.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -30.53 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -92.17 -40.21 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.5 mt -49.39 -48.67 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -46.05 86.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.92 -43.31 73.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 81.8 m-20 -70.02 -35.49 74.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CG2' HD11 ' A' ' 4' ' ' ILE . 31.6 mt -65.57 -51.1 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 1' ' ' MET . 2.3 mt -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.19 79.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -52.54 -30.31 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' HG23 ' A' ' 34' ' ' THR . . . -60.1 -40.96 91.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.14 -49.06 63.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -60.03 -43.62 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.0 mt -62.83 -36.75 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.99 -30.78 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -67.74 -44.31 77.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG21 ' ND1' ' A' ' 43' ' ' HIS . 19.3 m -87.14 -14.33 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 40.25 96.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' ND1' HG21 ' A' ' 41' ' ' VAL . 3.4 p80 -171.63 136.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.608 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.41 167.91 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.17 93.16 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -101.95 -56.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.69 112.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.23 -16.38 33.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.39 10.15 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 40.0 t80 -161.08 66.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 44.8 mt -133.92 68.61 75.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.42 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -131.75 76.91 73.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.99 175.84 10.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.96 -20.71 61.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -71.85 -57.1 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.22 -54.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -51.21 -42.48 60.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.3 tp -70.73 -44.54 66.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.65 82.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -39.19 78.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.14 -41.91 97.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -69.37 -52.32 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -42.88 81.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.3 m -59.73 -43.89 94.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -68.21 -33.44 74.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD1' HD22 ' A' ' 99' ' ' LEU . 2.1 t80 -66.85 -52.99 37.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -66.76 -55.56 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.76 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 8.7 tp -71.84 -45.48 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 91' ' ' TYR . 17.8 pt -93.24 23.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -110.55 -46.81 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.72 -54.94 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -41.97 128.26 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.4 -28.83 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.75 -12.04 50.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.73 132.64 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.9 mm -138.25 136.17 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.33 24.94 10.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.77 96.84 1.21 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 82' ' ' THR . 67.6 t80 54.84 165.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 1.9 t -77.73 143.46 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 84' ' ' GLU . 8.8 t -172.56 -160.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' N ' ' OG1' ' A' ' 83' ' ' THR . 0.8 OUTLIER -116.55 -178.63 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -50.1 117.96 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' GLY . 4.5 mt -106.03 -1.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . 37.38 60.66 1.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.37 177.97 9.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.91 110.35 22.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.512 ' O ' ' CG ' ' A' ' 91' ' ' TYR . 1.4 p -179.99 103.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.512 ' CG ' ' O ' ' A' ' 90' ' ' SER . 97.5 m-85 -162.62 124.35 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 m -97.0 129.82 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.16 160.0 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.0 -37.39 4.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -76.59 -61.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.25 44.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 m -115.48 146.88 41.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.4 p -85.92 66.32 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -40.85 119.03 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.54 169.71 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.13 156.36 20.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.02 41.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.31 66.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.63 -5.96 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.88 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.14 -42.26 72.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 20.9 pt -84.7 -17.98 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -48.73 -31.61 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -44.05 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 73.3 m-85 -106.28 36.41 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 113' ' ' LYS . 2.0 t -100.42 138.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.1 ttpm? -39.16 99.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.58 67.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.5 144.93 43.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.453 ' O ' ' CD1' ' A' ' 122' ' ' ILE . 0.2 OUTLIER -92.17 32.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 117' ' ' PRO . 3.2 pp -83.99 -19.87 33.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 121' ' ' GLY . 6.4 tt0 -70.04 152.07 44.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 36.54 -124.14 0.88 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 121' ' ' GLY . 42.1 mt 56.29 159.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.417 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 7.5 mt-10 64.98 9.11 5.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.61 -57.25 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -56.07 -54.13 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.9 t -52.28 -50.81 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -31.9 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.7 ttp -87.8 -39.97 14.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.46 63.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.01 55.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.455 0.169 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.44 HD13 ' CG1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -112.08 168.04 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.13 -33.42 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.44 ' CG1' HD13 ' A' ' 2' ' ' LEU . 1.5 pp -45.88 109.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 8' ' ' GLU . 1.7 t -59.16 149.66 66.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.96 -16.52 20.25 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 111.037 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -75.16 -29.74 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 1.9 tm-20 -74.15 -35.68 64.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -55.01 -50.5 68.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.96 -32.13 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -61.77 -29.12 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -94.37 -40.7 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.0 p -91.12 126.2 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 m -92.84 32.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CB ' HG21 ' A' ' 18' ' ' VAL . 2.4 m-85 -90.71 115.9 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 20' ' ' THR . 12.3 tt0 -58.15 -19.41 32.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -45.03 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 15' ' ' PHE . 41.2 t -70.47 -33.17 52.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -41.68 76.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 2.9 p -64.69 -26.91 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.7 137.67 96.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.78 41.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.67 -21.78 65.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.0 -31.23 64.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mt -92.57 -48.25 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' CD2' HD23 ' A' ' 9' ' ' LEU . 12.9 mt -44.08 -43.75 7.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 45.0 pttt -64.77 -52.26 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.8 mt-30 -55.06 -43.42 73.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -67.5 -32.2 72.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 61' ' ' LEU . 23.7 mt -68.66 -35.58 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 31' ' ' LEU . 5.9 mt -71.89 -32.37 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.5 -42.71 99.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -28.84 66.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.423 ' OG1' ' CD2' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -63.46 -40.21 96.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.51 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -55.22 8.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -58.76 -44.82 91.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 mt -59.64 -37.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.42 -26.22 63.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 4.6 mttt -73.02 -42.33 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 m -91.91 -0.21 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.21 43.02 9.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -170.49 147.3 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 109.587 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -115.87 -175.79 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -128.35 101.61 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 m -124.39 25.32 7.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -126.98 108.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.97 -21.59 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 24.97 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.2 t80 -178.78 64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -120.76 78.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.42 20.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -148.1 72.78 11.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -74.99 -179.96 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -32.52 69.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -60.5 -54.48 44.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.71 -54.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.34 -42.88 22.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -59.85 -44.9 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -71.64 -40.74 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.15 -41.59 79.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.81 -49.49 52.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -51.83 68.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -58.79 -53.06 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.03 -31.59 70.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HD22 ' A' ' 99' ' ' LEU . 1.2 t80 -71.33 -45.5 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.63 -54.03 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.78 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.38 -49.88 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.547 HD11 ' CE1' ' A' ' 67' ' ' PHE . 21.0 pt -92.53 30.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -121.87 -44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.62 -49.45 7.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -46.28 112.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -92.96 68.09 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.04 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.52 131.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 53.7 mt -61.54 166.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 76.55 141.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.73 -84.82 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.43 -162.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -95.61 19.54 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 p -83.87 168.04 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.3 mt-10 -89.69 147.25 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -39.03 124.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.5 mt -112.36 -4.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.62 -55.28 4.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -42.12 153.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 41.4 p90 -129.23 120.73 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.78 48.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CE1' HD12 ' A' ' 71' ' ' ILE . 55.4 m-85 -89.69 130.49 35.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.6 m -100.34 129.08 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 mt -91.47 160.14 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.97 -15.98 23.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 12.55 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.93 28.89 73.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -100.67 141.8 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' GLN . 10.5 m -94.65 67.92 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 67' ' ' PHE . 0.7 OUTLIER -44.35 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.6 OUTLIER -90.3 172.25 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.91 145.27 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.36 73.72 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 3.2 m -118.62 -0.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -59.9 -44.07 94.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.64 -25.71 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.76 -53.07 24.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 40' ' ' LYS . 17.5 pt -73.97 -21.78 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -52.49 -21.71 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.85 -18.67 65.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 88.2 m-85 -138.81 38.63 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 t -95.63 132.72 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.2 tttt -39.11 99.52 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -74.99 -178.9 4.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -127.36 67.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -144.78 143.71 21.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.6 35.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.428 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.7 pp -81.28 -9.84 59.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.52 168.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.32 85.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.69 154.33 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 71.0 6.15 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.72 -57.26 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -48.74 78.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.09 -50.93 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -32.71 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -53.42 4.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -22.08 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.39 67.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.489 0.185 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.403 HD12 ' CG2' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -81.7 159.58 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' CG2' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -115.2 -8.52 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.403 ' CG2' HD12 ' A' ' 2' ' ' LEU . 1.1 pt -56.87 146.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -93.44 162.67 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.86 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -32.56 72.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -31.33 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.09 -44.93 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -66.51 -29.97 70.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -61.49 -37.98 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -89.08 -35.63 16.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -90.41 119.26 30.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -96.01 29.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -98.03 129.58 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.1 OUTLIER -60.39 -36.27 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -58.3 -36.18 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -74.35 -39.31 48.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -66.2 -55.03 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 73.4 p -46.16 -43.72 15.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 25' ' ' LEU . 2.1 tpm_? -55.38 126.26 61.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.05 37.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.11 -40.59 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.75 -37.99 63.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 21' ' ' ARG . 36.6 mt -87.59 -50.4 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 10.4 mt -44.79 -39.37 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.84 -54.13 50.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -55.15 -33.21 62.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -76.25 -51.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.4 mt -56.16 -34.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.72 -32.62 57.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.89 -30.47 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.33 -49.92 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 35' ' ' ALA . 13.3 t -57.0 -25.24 58.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' N ' HG21 ' A' ' 34' ' ' THR . . . -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.79 -42.1 67.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.97 -48.81 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.94 -34.88 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 8.9 mttt -81.38 -45.25 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 43' ' ' HIS . 35.0 m -78.85 -12.71 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.34 41.39 87.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.9 p80 -171.53 135.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -108.29 107.4 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 46' ' ' SER . 27.4 m-85 -37.59 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 45' ' ' PHE . 2.8 m 33.4 72.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -178.22 111.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.57 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.52 14.35 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 22.2 t80 -166.79 67.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.49 ' CG2' ' CD2' ' A' ' 3' ' ' LEU . 1.7 mt -121.11 75.64 30.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.1 Cg_endo -75.04 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -134.43 69.37 73.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -20.7 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -71.8 -56.96 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.18 -54.57 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -43.43 15.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.23 -44.59 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.78 79.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.07 -42.67 69.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -73.14 -51.33 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -34.81 79.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.0 t -56.87 -38.71 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -75.68 -41.03 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' A' ' 99' ' ' LEU . 6.0 t80 -52.41 -53.74 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.51 -51.82 32.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.35 -26.68 31.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.9 tp -75.6 -48.23 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.445 ' CG2' HD23 ' A' ' 99' ' ' LEU . 16.4 pt -92.37 29.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.33 -51.73 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.92 73.32 0.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' A' ' 77' ' ' ILE . 29.9 t70 -114.96 -8.99 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 43.36 65.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 t 176.04 -53.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.43 HD12 ' CB ' ' A' ' 74' ' ' ASP . 60.3 mt -53.32 135.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt -103.77 100.91 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 115.01 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 42.32 35.74 1.94 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 57.85 113.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 111.042 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m 47.76 -162.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m 50.91 177.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.445 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.19 -169.79 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 112.16 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -95.09 4.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.69 70.66 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.95 176.45 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.31 46.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.8 m -130.98 57.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.433 ' CD2' HD12 ' A' ' 71' ' ' ILE . 17.3 m-30 -111.69 82.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -78.48 127.29 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.7 mt -86.52 158.87 19.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.92 -52.62 33.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -22.59 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.87 5.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -88.82 175.05 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 p -122.44 67.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' A' ' 67' ' ' PHE . 8.8 tp -42.6 112.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -115.22 10.73 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER 87.85 143.42 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.0 135.63 19.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -78.75 76.58 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 m -93.4 17.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.7 t80 -63.03 -39.32 94.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.1 -28.65 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.92 -44.88 65.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 26.2 pt -84.64 -9.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -60.21 -15.82 27.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -29.21 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 72.9 m-85 -127.04 40.12 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 2.3 t -98.69 143.23 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -39.53 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 -178.67 4.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -115.64 66.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -133.64 139.89 35.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.91 31.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.6 pp -72.93 -9.85 59.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -69.24 80.86 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 34.7 mm -108.96 148.38 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 70.15 6.54 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.96 -53.39 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -16.5 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.67 -47.88 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -27.41 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 129' ' ' ARG . 10.1 ptp -88.71 -37.22 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 128' ' ' MET . 1.1 mpt_? -74.99 -28.16 60.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -23.88 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.454 0.169 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.07 147.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mp -120.6 68.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -141.53 107.17 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -62.13 161.25 25.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.17 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.99 -34.27 77.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -32.23 60.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 3.6 tp -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 8.1 ptmt -66.6 -32.68 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.1 t -52.16 -42.24 63.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -91.92 -45.51 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -79.19 122.51 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.43 39.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 70' ' ' LEU . 2.7 m-30 -102.64 118.35 36.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -36.31 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -60.83 -43.21 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.43 -36.66 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -54.56 21.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.6 p -51.18 -55.06 19.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 25' ' ' LEU . 10.5 mtt-85 -40.1 137.81 1.18 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.11 -42.9 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.83 -34.34 62.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 24.4 mt -86.17 -50.83 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -43.38 -34.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -64.34 -52.72 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -58.22 -33.83 69.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -76.34 -40.17 52.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mt -61.57 -48.39 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.73 -31.5 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -56.85 -40.9 76.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.24 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -44.43 -43.83 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.27 76.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.44 -51.93 67.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -57.25 -51.65 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.463 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 59.8 mt -54.93 -35.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.9 -28.36 64.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 6.3 mttp -73.72 -46.47 45.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 38' ' ' ILE . 7.8 m -75.69 -34.64 29.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.98 35.22 19.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -171.98 150.0 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.608 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -111.45 156.77 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -95.6 74.49 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -53.36 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -52.42 110.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -15.18 59.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.04 13.65 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 16.7 t80 -164.99 67.43 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.8 mt -126.65 73.3 74.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.27 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.91 76.1 28.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -74.96 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -24.96 59.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 p -67.64 -54.14 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.21 -54.99 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -39.89 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.07 -38.62 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.21 99.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.9 mt -62.73 -39.67 94.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -72.71 -52.3 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -44.73 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.5 t -57.42 -51.21 70.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.56 -42.48 91.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.467 ' CE1' HD21 ' A' ' 99' ' ' LEU . 8.6 t80 -55.9 -51.24 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -51.47 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.41 -27.77 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 15' ' ' PHE . 5.0 tp -69.47 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 99' ' ' LEU . 27.4 pt -48.47 -34.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.49 -58.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.07 89.77 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -96.34 -44.39 7.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.94 -66.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.25 67.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -106.61 131.49 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.2 mp -145.15 112.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -176.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.66 -68.22 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.17 -171.63 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.1 m -89.02 19.04 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -73.17 168.11 19.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -171.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -57.84 122.26 12.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.4 mt -103.09 1.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 36.76 72.91 0.14 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.84 169.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE2' ' OE1' ' A' ' 100' ' ' GLN . 8.7 m-30 -38.79 112.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.53 -148.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.458 ' CG ' HD12 ' A' ' 71' ' ' ILE . 60.0 m-85 47.71 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.7 m -71.57 123.03 21.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 93' ' ' LEU . 2.1 mt -71.2 159.75 34.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.31 -42.3 49.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.6 -12.71 48.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.01 16.49 55.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.7 t -91.13 161.46 15.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 p -102.14 96.17 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 71' ' ' ILE . 11.6 tp -67.09 125.4 25.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.582 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.2 mt-30 -112.2 -179.43 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 137.04 87.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 150.11 37.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.79 69.67 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 m -108.45 -15.25 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 109' ' ' LYS . 29.7 t80 -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.97 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -78.8 -17.54 55.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 40' ' ' LYS . 1.7 pt -121.61 7.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.51 -23.43 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -83.91 -38.17 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 9.0 m-85 -98.26 36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.43 155.94 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 41' ' ' VAL . 8.7 tmtt? -44.95 111.3 1.24 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.57 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 116' ' ' ASP . . . -97.96 79.26 2.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 115' ' ' ALA . 0.5 OUTLIER 38.01 91.05 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.69 45.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 120' ' ' GLU . 1.4 pp -80.8 -17.65 50.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 121' ' ' GLY . 3.4 tp10 -38.39 152.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 120' ' ' GLU . . . -52.29 93.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 52.9 mt -119.42 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 1.1 mt-10 70.38 6.7 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.41 -57.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -56.97 -53.88 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.09 -58.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -32.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.8 mmt -88.95 -57.12 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -49.27 -24.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.8 m -117.18 58.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.492 0.187 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.82 167.57 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.85 31.06 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.2 137.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -86.92 159.09 52.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -74.99 -32.39 5.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 5' ' ' THR . 4.4 t70 -53.27 -29.5 33.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -40.55 48.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 26' ' ' LEU . 3.0 tp -53.17 -50.27 64.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.84 -30.55 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 6.2 t -65.22 -31.25 72.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -97.02 -42.16 8.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -73.99 125.47 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.06 31.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -106.42 115.86 30.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.36 -30.65 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -61.69 -38.96 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.6 t -73.35 -44.11 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -59.05 -51.08 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -52.66 -49.6 64.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HD2' ' CA ' ' A' ' 73' ' ' GLY . 4.8 ttt-85 -46.98 142.48 5.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.5 Cg_endo -74.96 157.6 42.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.13 -32.74 73.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 3.6 pt-20 -62.5 -34.46 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 12.5 mt -86.41 -44.95 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CD2' HD22 ' A' ' 9' ' ' LEU . 13.9 mt -49.79 -50.6 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -44.68 94.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -54.95 -40.04 69.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -72.33 -44.02 63.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -39.1 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -29.87 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.01 -36.24 74.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 t -67.67 -27.41 66.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.69 76.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -76.64 -38.68 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.2 mt -66.73 -50.45 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 70.5 mt -59.33 -35.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.75 -25.74 67.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.8 -46.84 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' GLY . 27.2 m -86.94 5.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.52 41.13 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 142.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.602 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -119.01 175.49 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.7 89.67 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.73 39.72 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.3 m-20 -143.51 112.43 6.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.7 -23.3 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.1 25.53 4.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . 81.4 t80 -174.52 57.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 51' ' ' ILE . 43.2 mt -132.24 71.85 79.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.65 41.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -137.62 79.02 35.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -82.8 -20.3 36.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.08 -56.79 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.42 -55.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -47.89 -46.11 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.91 -44.57 65.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.16 76.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -41.12 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.16 -42.51 98.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -67.07 -47.13 72.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -49.44 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 84.0 p -57.35 -34.97 69.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.32 -40.71 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HD21 ' A' ' 99' ' ' LEU . 2.9 t80 -59.3 -55.05 39.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 11.2 m-85 -66.53 -51.24 58.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -53.07 -27.5 20.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 tp -76.38 -48.0 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 91' ' ' TYR . 28.2 pt -93.77 28.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 26.3 m-20 -128.27 -58.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' CA ' ' HD2' ' A' ' 21' ' ' ARG . . . -62.18 -21.57 61.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HB3' ' CG1' ' A' ' 77' ' ' ILE . 0.4 OUTLIER -76.3 127.42 32.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.72 -5.38 42.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -93.05 -20.71 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 74' ' ' ASP . 6.1 mm -64.03 148.85 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.17 123.56 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.43 19.63 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.82 -94.53 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' THR . 5.2 t80 -140.85 -74.22 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 0.748 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' TYR . 22.5 m -141.32 16.86 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.0 p -67.53 169.62 8.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.24 -171.79 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 129.87 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.76 -143.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.26 36.23 1.21 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.05 -175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -103.18 24.45 10.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 91' ' ' TYR . 44.6 m -113.34 102.96 10.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 90' ' ' SER . 62.9 m-85 -159.23 84.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 142.79 52.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.18 152.84 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.91 -35.17 0.9 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 40.63 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.6 m -119.0 143.46 47.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 76.91 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 67' ' ' PHE . 1.3 tp -47.06 110.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -99.71 175.42 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 154.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -112.93 48.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 m -95.26 16.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.34 -44.61 67.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.86 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.81 -45.55 81.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.2 pt -79.53 -29.43 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ttpt -50.78 -22.61 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -44.8 76.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 111' ' ' TYR . 25.6 p90 -128.49 52.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 1.3 t -87.55 123.39 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -39.47 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.1 Cg_endo -75.04 169.46 22.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.73 80.51 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -110.01 142.88 26.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 27.29 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 120' ' ' GLU . 2.7 pp -72.61 -21.42 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' LEU . 7.1 pt-20 -46.44 172.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.49 91.82 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.14 145.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.08 5.64 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.99 -49.96 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -46.98 71.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.19 -55.28 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.55 -31.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.5 mmt -89.28 -60.04 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -27.02 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.64 80.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' N ' HD13 ' A' ' 31' ' ' LEU . 2.2 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.521 0.2 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 4' ' ' ILE . 0.9 OUTLIER 58.16 -95.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 172.16 37.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -141.4 152.72 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.506 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 1.5 t -100.04 150.99 37.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -21.31 15.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -30.26 68.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.473 ' HG3' ' CG2' ' A' ' 5' ' ' THR . 34.0 mt-10 -75.47 -36.29 60.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 26' ' ' LEU . 4.2 tp -52.53 -50.76 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB2' ' CG ' ' A' ' 19' ' ' LYS . 12.7 pttt -68.35 -36.77 79.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -58.94 -38.99 80.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -83.15 -41.03 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -74.42 149.86 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 m -104.88 -20.62 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 1.4 m-85 -59.83 127.84 33.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.3 tt0 -65.18 -26.83 68.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 m -61.83 -50.33 72.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.97 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' CG ' ' HB2' ' A' ' 10' ' ' LYS . 4.3 mttm -66.43 -54.61 22.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 24.1 p -52.57 -51.37 60.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' CG ' ' HD2' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -39.39 146.29 0.36 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.01 155.7 42.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -32.3 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.12 -28.09 69.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.9 mt -91.7 -40.06 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 9' ' ' LEU . 51.5 mt -49.91 -51.09 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.42 90.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -38.71 68.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -77.23 -33.36 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 4' ' ' ILE . 8.3 mt -70.5 -51.43 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 1' ' ' MET . 11.7 mt -55.29 -32.35 62.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.85 -29.53 55.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.96 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.453 ' CB ' HD12 ' A' ' 61' ' ' LEU . 1.1 t -62.81 -31.72 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.62 84.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -50.74 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.423 HG22 ' CG2' ' A' ' 108' ' ' ILE . 15.5 mt -57.63 -38.33 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -70.43 -35.1 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -23.11 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -80.94 -46.95 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.76 -26.06 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.1 40.61 50.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -176.78 137.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -98.22 -174.46 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -124.83 80.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -90.37 -57.37 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.57 113.79 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.26 -14.38 55.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 10.2 tt0 -91.43 16.8 9.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 38.3 t80 -167.26 63.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 45.3 mt -132.11 68.41 80.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -127.94 85.34 60.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -75.0 -171.62 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.54 -20.19 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' VAL . 12.3 p -73.24 -56.98 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 54.6 t -56.18 -52.68 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -52.26 -46.81 65.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 63' ' ' LYS . 2.4 tp -65.08 -50.77 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.97 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD12 ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -65.05 -47.06 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.4 -37.86 87.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HD2' ' CD1' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.0 -52.92 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 m -58.87 -37.49 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.65 -45.4 65.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 99' ' ' LEU . 2.8 t80 -58.36 -52.19 66.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.88 -53.83 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.06 42.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 15' ' ' PHE . 6.3 tp -69.3 -67.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 ' CG2' HD21 ' A' ' 99' ' ' LEU . 3.5 pt -58.5 -44.38 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -41.43 -38.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.8 73.8 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.35 -153.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.18 58.82 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.12 77.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 93' ' ' LEU . 28.6 mt -104.29 148.86 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.25 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -171.69 -157.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 81' ' ' TYR . . . -107.54 -150.03 15.81 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 80' ' ' GLY . 1.1 p90 -170.53 -48.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.4 m -146.05 17.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 84' ' ' GLU . 12.1 t -174.85 -152.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' N ' ' OG1' ' A' ' 83' ' ' THR . 0.8 OUTLIER 57.77 158.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -45.01 134.32 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.4 mt -92.52 -140.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . -37.67 94.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -167.49 179.66 4.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 57.7 m-85 -69.72 61.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.31 24.39 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.17 45.66 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.9 m -41.89 148.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 77' ' ' ILE . 13.4 mt -103.39 172.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.65 96.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -51.53 20.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 44.48 0.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.0 m -116.42 149.02 40.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.6 p -91.16 71.59 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 0.9 OUTLIER -52.49 116.61 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.59 ' OE1' ' CD1' ' A' ' 89' ' ' TYR . 5.8 tp60 -100.9 160.64 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -44.16 160.63 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.62 36.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 85.24 7.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.27 16.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -41.15 87.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.63 63.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.16 -40.66 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.423 ' CG2' HG22 ' A' ' 37' ' ' ILE . 11.9 pt -86.76 -16.54 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -53.28 -21.04 4.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -25.47 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 82.0 m-85 -133.19 46.91 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.48 142.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.9 100.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.99 4.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.0 76.6 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -145.69 130.12 8.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -90.28 40.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.4 pp -83.66 -11.88 56.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.26 161.56 30.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.28 42.17 88.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 123' ' ' GLU . 87.8 mt -143.29 156.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 122' ' ' ILE . 12.2 mt-10 66.55 8.19 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.64 -48.85 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -52.97 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.8 t -48.79 -49.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -29.75 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.02 -47.9 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -16.33 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.2 m -95.88 -38.09 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 20.1 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.474 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 3' ' ' LEU . 1.9 tt 64.69 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER 166.41 -49.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.53 169.94 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -123.07 167.1 15.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.23 4.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -49.35 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -62.49 -38.0 88.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.85 -50.9 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 pttt -69.16 -31.09 69.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.19 -37.06 83.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 4.0 t80 -89.17 -44.4 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -74.87 146.2 42.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 26.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -92.64 137.64 32.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 20' ' ' THR . 2.4 tt0 -66.72 -37.48 84.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -50.96 70.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.58 -39.83 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -55.01 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 30.1 p -53.87 -48.11 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 144.17 5.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.97 28.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.49 -35.57 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.06 -27.74 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.9 -43.99 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' CD1' HD22 ' A' ' 9' ' ' LEU . 21.2 mt -55.04 -47.01 75.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -59.04 -44.26 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.82 -36.62 67.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -48.64 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -53.41 -36.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 1' ' ' MET . 5.1 mt -70.36 -36.79 74.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.12 -25.01 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.52 -45.29 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 35' ' ' ALA . 14.8 t -60.03 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 34' ' ' THR . . . -62.74 -42.55 99.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.26 -49.89 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 mt -59.63 -42.48 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.5 mt -62.47 -35.31 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -24.09 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 2.8 mttp -75.09 -46.6 33.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.0 m -81.75 -34.14 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.97 25.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -147.71 135.46 21.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.562 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.86 15.85 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 39.6 79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -100.84 -40.32 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 118.12 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.39 -15.06 46.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -94.8 15.88 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 29.0 t80 -164.57 61.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 34.7 mt -134.61 66.37 69.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.33 31.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD23 ' CB ' ' A' ' 3' ' ' LEU . 4.0 tp -139.08 73.38 38.43 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -40.11 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 t -55.25 -43.07 74.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.24 -52.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -51.99 -37.5 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.46 -47.04 52.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.13 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -41.89 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.99 -45.25 83.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.22 -47.71 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -43.74 96.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.404 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 46.8 t -57.7 -44.64 86.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -71.39 -38.12 71.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 99' ' ' LEU . 2.3 t80 -62.56 -49.14 76.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -72.89 -52.73 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.69 -26.82 15.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tp -70.64 -42.18 71.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 99' ' ' LEU . 1.9 pt -97.96 22.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -111.29 -16.02 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.38 90.41 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -153.81 128.16 9.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.9 62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 91' ' ' TYR . 20.0 mt -45.68 122.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.29 122.91 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -83.76 150.87 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 81' ' ' TYR . . . -95.81 -146.76 21.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 80' ' ' GLY . 52.5 p90 40.24 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.75 130.91 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 84' ' ' GLU . 14.5 t -171.27 -151.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -98.65 -171.93 2.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -75.85 123.33 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mt -140.19 -142.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.05 47.19 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.756 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 24.1 p90 -108.54 115.03 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 2.1 m 169.11 56.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 15.9 m-85 -116.24 -1.57 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' TYR . 21.8 m 57.21 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 99' ' ' LEU . 37.6 mt -131.29 175.49 9.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.05 -38.42 55.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.45 11.51 16.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.24 32.9 85.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m -98.53 140.0 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.0 93.26 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 67' ' ' PHE . 6.2 tp -56.75 106.06 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -91.69 154.17 19.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NZ ' ' A' ' 40' ' ' LYS . 6.4 mttt -40.84 150.24 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 154.01 41.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -78.06 68.31 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.41 -11.69 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -51.61 -33.29 32.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -29.64 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.28 -49.46 49.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 13.8 pt -72.97 -14.43 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -31.27 64.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -13.8 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 74.3 m-85 -140.88 41.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 2.8 t -106.3 138.46 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -42.25 104.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.69 72.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.49 141.33 33.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.28 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.13 -20.93 63.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -106.53 152.48 23.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 88.0 -41.31 3.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.1 mt -112.7 150.16 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.51 1.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.84 -56.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -36.72 80.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.96 -50.77 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -38.71 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.38 -62.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -24.37 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.7 m -119.66 65.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 3.7 ttt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.428 0.156 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.91 -69.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 15.3 mt -158.73 -40.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.59 108.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 p -47.47 160.06 0.39 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.9 8.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -35.06 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.94 -33.75 74.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.17 -51.03 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.3 pttm -70.29 -30.69 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.9 t -64.1 -27.07 68.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.483 ' OH ' ' CD1' ' A' ' 59' ' ' LEU . 5.7 t80 -98.92 -43.21 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 p -79.65 132.01 36.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 m -95.8 41.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 4.7 m-85 -111.01 126.6 54.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 20' ' ' THR . 3.9 tp10 -67.98 -35.72 78.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -59.92 -37.33 79.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.39 -33.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -69.81 -54.14 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 60.1 p -48.03 -46.92 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.09 150.19 1.47 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.62 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.94 -26.69 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.63 -28.93 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.55 -46.56 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 9' ' ' LEU . 11.5 mt -48.71 -50.81 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 25.4 pttt -57.57 -41.93 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 33.0 mt-30 -60.49 -44.39 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.07 -45.31 81.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.8 mt -50.15 -31.48 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 1' ' ' MET . 12.4 mt -78.0 -35.46 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 35' ' ' ALA . 6.7 t -61.4 -24.07 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' N ' HG23 ' A' ' 34' ' ' THR . . . -60.33 -46.65 89.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.48 -49.92 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 108' ' ' ILE . 4.2 mt -58.36 -34.97 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.2 -38.52 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -31.35 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.5 mttm -65.64 -47.08 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' CE1' ' A' ' 43' ' ' HIS . 28.5 m -80.42 -23.94 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.38 39.35 36.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 41' ' ' VAL . 6.2 p80 -171.17 145.52 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.24 162.96 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -99.55 72.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -62.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.0 110.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 51' ' ' ILE . . . -63.32 -16.27 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.69 11.76 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.4 t80 -162.99 67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 62.6 mt -134.06 64.15 64.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 147.17 33.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 3' ' ' LEU . 2.3 tp -123.98 82.52 55.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.17 27.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.57 -38.26 90.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -55.59 -54.38 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.24 -52.88 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -47.46 -47.73 27.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' ' OH ' ' A' ' 12' ' ' TYR . 6.4 tp -61.6 -45.43 94.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.77 -41.4 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -43.23 82.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -63.51 -42.25 98.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -67.12 -50.78 60.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -43.67 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.1 t -56.96 -43.16 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.608 ' NE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 tt0 -70.08 -46.16 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 99' ' ' LEU . 5.1 t80 -53.64 -50.8 64.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.7 m-85 -70.74 -52.94 17.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.29 -26.92 31.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.09 -69.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.516 HD13 ' CG ' ' A' ' 91' ' ' TYR . 24.8 pt -60.42 -16.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' TYR . 19.3 m-20 -62.16 -28.67 69.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.81 77.36 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 13.9 t0 -97.11 -81.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -157.68 70.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.07 69.91 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 14.4 mt -89.58 140.6 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 tt -109.37 149.26 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HG2' ' CD1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -125.88 25.16 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . 73.67 125.23 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 4.7 p90 40.84 -168.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.49 132.37 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 84' ' ' GLU . 11.6 t -175.0 -154.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' N ' ' OG1' ' A' ' 83' ' ' THR . 13.4 mt-10 -128.4 159.8 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.99 110.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 84' ' ' GLU . 6.3 mt -98.75 -6.88 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.58 -57.95 0.69 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' TYR . 49.7 m-20 -46.23 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 98' ' ' SER . 16.6 t80 -35.65 124.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.1 -148.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.516 ' CG ' HD13 ' A' ' 71' ' ' ILE . 26.4 m-85 41.74 70.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 m -68.23 123.59 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 99' ' ' LEU . 6.7 mt -76.8 158.55 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -19.43 61.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.57 4.35 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.44 28.92 68.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 m -103.9 146.55 28.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.486 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 8.5 m -95.5 74.02 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 67' ' ' PHE . 3.0 tp -55.77 107.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.78 156.1 17.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -43.97 143.35 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.79 30.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.56 72.59 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 33.5 m -96.15 13.2 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' LYS . 14.6 t80 -70.12 -33.3 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.59 -25.68 65.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -44.25 48.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 37' ' ' ILE . 1.3 pt -93.7 7.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 105' ' ' TYR . 11.4 tttp -64.39 -19.9 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.14 -46.02 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -77.99 -32.77 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 113' ' ' LYS . 6.8 t -41.72 133.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -38.56 99.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.341 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.98 -178.9 4.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.86 70.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -129.17 145.17 55.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.04 31.82 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 120' ' ' GLU . 2.7 pp -75.45 -25.78 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 122' ' ' ILE . 20.7 tt0 58.79 153.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.406 ' N ' ' CG ' ' A' ' 120' ' ' GLU . . . -55.83 86.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' GLU . 76.1 mt -128.38 152.45 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 65.56 9.25 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.57 -42.32 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -51.47 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.23 -54.41 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -42.26 -32.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 130' ' ' SER . 0.3 OUTLIER -86.74 -61.98 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -25.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 128' ' ' MET . 0.6 OUTLIER -139.29 80.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.469 0.176 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.14 134.98 51.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -89.09 86.57 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.17 157.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.403 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 8.9 t -100.02 146.26 31.61 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.95 -10.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.59 -30.91 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.27 -35.66 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.436 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.98 -50.89 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -66.93 -30.98 71.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.3 t -64.08 -31.43 72.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -96.01 -25.34 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -92.16 141.08 28.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.3 24.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 70' ' ' LEU . 1.1 m-85 -99.22 125.48 44.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.5 -33.76 71.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.67 -42.54 97.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.09 -36.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -53.87 30.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 p -55.78 -49.12 74.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 72' ' ' ASN . 1.1 ttt85 -40.58 135.97 1.49 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' CG ' HD11 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 167.37 27.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.77 -36.04 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.1 -34.77 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 22' ' ' PRO . 41.9 mt -86.1 -44.96 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 9' ' ' LEU . 21.5 mt -54.51 -41.41 69.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -57.24 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -54.94 -37.15 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 22.3 t70 -66.63 -42.04 87.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.27 -37.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.82 -40.33 69.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -61.26 -28.62 69.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.07 61.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -24.92 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.28 88.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.71 -44.86 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.424 ' CG2' HG22 ' A' ' 108' ' ' ILE . 36.9 mt -58.88 -42.4 85.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' GLY . 86.4 mt -64.58 -40.07 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.44 -25.08 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' CB ' HD12 ' A' ' 108' ' ' ILE . 8.9 mtpt -76.79 -45.62 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 14.0 m -89.77 8.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.64 43.81 1.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -170.42 144.38 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.641 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.74 156.18 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.7 84.74 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 -56.49 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.68 107.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.85 -19.31 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 12.35 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 48.9 t80 -163.81 67.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 3' ' ' LEU . 7.3 mt -123.76 76.59 56.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -142.94 76.22 17.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.02 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -19.52 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.9 p -73.98 -46.82 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.01 -55.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -51.31 -43.76 61.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 tp -73.2 -38.04 66.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.97 -43.76 97.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 65' ' ' SER . 0.2 OUTLIER -74.25 -37.95 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.56 -37.89 87.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -73.57 -52.63 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 HD13 ' CG2' ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.02 -50.26 74.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 80.6 p -56.43 -40.32 74.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -67.29 -30.75 70.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -77.44 -47.63 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -26.65 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -64.91 -53.91 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 91' ' ' TYR . 3.5 pt -75.28 -42.61 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -45.64 -62.81 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.73 -53.15 34.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 126.82 10.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.25 -9.15 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.03 48.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 ' CD1' HD21 ' A' ' 93' ' ' LEU . 18.3 mt -149.45 132.39 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 9.4 mm -55.57 164.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 0.0 OUTLIER 73.33 123.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.43 88.08 0.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -153.78 134.62 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t 40.26 -160.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 84' ' ' GLU . 11.3 t -64.23 -139.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER 59.32 159.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -41.25 123.24 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.56 4.5 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.15 2.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -60.26 167.36 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -78.14 52.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -144.15 97.99 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.562 ' CD1' HD13 ' A' ' 71' ' ' ILE . 14.7 m-85 -132.12 78.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -101.81 136.06 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.473 ' CD1' HD22 ' A' ' 99' ' ' LEU . 9.8 mt -92.34 150.67 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.73 -18.87 11.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.74 7.29 21.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.94 1.7 85.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.5 m -81.08 149.08 29.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.026 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' LEU . 1.5 m -99.8 30.5 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 93' ' ' LEU . 0.2 OUTLIER 47.5 -175.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' H ' ' CD1' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -125.23 -172.7 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 133.17 9.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.99 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.44 77.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 15.1 m -91.38 21.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' LYS . 1.9 t80 -70.62 -42.79 70.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.22 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.91 -47.82 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 40' ' ' LYS . 4.9 pt -89.52 -0.35 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -61.52 -31.86 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.63 -7.59 54.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -134.01 23.42 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 113' ' ' LYS . 1.4 t -72.05 152.15 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.4 tmtt? -39.18 99.73 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.05 -179.62 5.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.21 72.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -140.25 143.02 31.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.48 31.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.7 pp -78.05 -20.34 52.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 56.0 tt0 -88.2 155.81 19.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 120' ' ' GLU . . . 63.26 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.7 mt -139.51 150.46 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 67.85 8.35 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.15 -33.69 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.35 -18.48 45.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.25 -55.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -20.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 ttp -87.23 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -39.17 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.57 50.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.6 tt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 8.7 ptm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.472 0.177 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.78 -49.71 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 1.3 tp 173.44 -34.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pt -85.06 171.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 1.5 t -111.79 150.02 41.66 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.97 -20.02 17.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -68.47 -30.78 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -77.04 -35.51 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.96 -48.9 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -32.59 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.04 -41.9 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.2 t -81.13 126.0 30.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.72 42.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -115.66 126.66 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.78 -16.2 62.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -70.39 -41.25 73.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.33 -33.21 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -55.32 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 t -51.99 -21.31 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -73.67 141.58 79.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.68 -25.54 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -70.12 -29.8 66.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.7 mt -92.17 -46.72 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.3 mt -43.26 -44.78 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -53.47 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.14 -41.46 68.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.26 -31.27 71.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.6 mt -69.73 -50.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 1' ' ' MET . 6.2 mt -62.39 -33.05 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -33.07 71.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.94 56.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -41.45 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.79 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.89 -55.39 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.92 -43.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.53 -35.39 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.54 -41.68 62.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 47.9 mttm -58.04 -44.87 87.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' HB ' ' NE2' ' A' ' 43' ' ' HIS . 26.7 m -75.0 -21.79 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 41.14 73.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 33.2 p80 -176.04 136.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.63 165.22 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' SER . 39.5 m-85 -98.75 -65.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' PHE . 27.0 m 36.45 64.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' CB ' ' HB3' ' A' ' 50' ' ' TYR . 3.1 m-20 -168.31 114.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.52 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -107.54 19.64 19.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 27.3 t80 -167.6 54.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 32.2 mt -132.65 66.18 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.51 12.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -122.59 77.14 46.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.06 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.4 p -52.45 -57.7 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.367 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 -55.52 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -47.41 -44.89 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.3 -42.78 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.96 -42.61 99.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.05 74.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.68 -45.06 93.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -68.42 -48.52 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -47.54 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 m -56.78 -37.82 71.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.93 -35.73 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 71' ' ' ILE . 7.3 t80 -63.18 -45.84 89.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -54.0 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.73 -26.86 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.9 tp -75.09 -51.06 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.524 HD11 ' CE1' ' A' ' 67' ' ' PHE . 14.0 pt -91.93 30.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -123.91 -46.48 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.6 36.37 4.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 76' ' ' SER . 10.4 t70 -102.49 161.8 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -40.16 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.6 m -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.416 HD13 ' CD2' ' A' ' 93' ' ' LEU . 24.5 mt -87.34 140.85 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt -109.72 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -147.7 22.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.17 -95.85 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -43.79 -61.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 79' ' ' LYS . 63.3 p 41.33 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -109.57 -149.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.81 6.32 15.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.23 114.86 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.3 mm -99.25 1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.61 42.94 1.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -96.91 -179.3 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.6 42.37 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 m -113.81 61.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.45 ' CD2' HD12 ' A' ' 71' ' ' ILE . 22.9 m-85 -120.9 39.53 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -47.9 132.05 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' GLY . 9.7 mt -92.64 147.54 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.68 -31.32 0.4 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -48.55 18.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 93' ' ' LEU . . . 128.3 42.01 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 m -115.37 137.74 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 p -83.8 61.83 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 71' ' ' ILE . 3.0 tt -46.39 110.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -100.84 -174.87 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.6 mptt -54.74 158.16 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.02 80.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 6.5 m -116.61 20.19 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.19 -36.82 80.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.23 66.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.14 -52.99 12.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 112' ' ' VAL . 3.7 pt -70.52 -22.0 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -51.04 -22.26 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 47.0 t0 -58.21 -51.19 70.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 110' ' ' ASP . 1.0 OUTLIER -119.73 50.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.474 ' CG2' HG13 ' A' ' 108' ' ' ILE . 1.4 t -95.54 153.11 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -37.88 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.04 166.6 28.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.39 67.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.23 143.9 21.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -161.82 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.28 37.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.8 pp -89.72 -12.43 39.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 40.0 tt0 -110.57 154.95 23.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 120' ' ' GLU . . . 99.69 -10.4 60.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 2.1 mp -120.08 149.02 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 72.26 5.03 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -52.94 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -52.57 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 67.5 t -50.51 -53.79 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -32.86 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -83.4 -61.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.44 -27.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -127.51 73.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.517 0.199 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 3' ' ' LEU . 5.5 tt -161.97 -68.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 53' ' ' LEU . 54.4 mt -96.27 -24.57 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 61' ' ' LEU . 6.6 pt -151.0 166.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -116.36 167.9 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.01 -33.95 4.18 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' N ' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -53.21 -50.62 64.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -67.93 -38.86 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' HG ' ' CG1' ' A' ' 18' ' ' VAL . 21.5 tp -52.59 -51.07 61.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -33.03 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -67.11 -33.49 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -90.81 -49.01 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -77.37 128.14 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -103.32 19.56 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.78 117.06 25.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -49.33 -24.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -71.44 -39.04 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 9' ' ' LEU . 61.5 t -75.86 -32.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -68.21 -55.43 12.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 t -58.43 -37.55 75.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' CZ ' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.53 131.58 2.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.96 142.01 27.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.64 -34.63 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.26 -28.34 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 21' ' ' ARG . 24.5 mt -89.69 -52.53 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 21.3 mt -46.0 -45.34 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -56.25 18.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -58.6 -41.48 85.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.75 -47.98 82.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.63 -50.35 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 2' ' ' LEU . 7.3 mt -61.99 -40.65 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 85' ' ' LYS . 13.9 tp10 -55.0 -33.42 62.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.426 HG21 ' CD1' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -47.21 -48.88 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.82 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.1 -55.46 16.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 108' ' ' ILE . 5.4 mt -61.84 -33.39 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 14.9 mt -73.18 -35.45 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.54 -22.99 61.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -75.58 -43.99 45.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 112' ' ' VAL . 32.3 m -84.6 -24.29 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 67.62 38.98 90.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 99.5 m-70 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -92.18 159.27 15.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 102.01 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.2 -41.49 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.47 119.45 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.97 -16.51 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -87.17 9.77 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 49.3 t80 -161.8 65.32 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 59.0 mt -138.72 64.48 36.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 151.86 39.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 3' ' ' LEU . 3.4 tp -137.64 76.34 42.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.34 33.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.18 -39.09 81.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 57' ' ' VAL . 14.8 t -54.19 -44.96 72.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 56' ' ' THR . 3.3 t -68.66 -54.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HA ' ' CG2' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -48.03 -38.81 18.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.5 -49.61 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.27 -46.16 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -69.34 -43.43 73.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.84 -36.77 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -72.94 -51.68 17.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.58 -47.72 81.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.34 -49.56 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.69 -32.53 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 99' ' ' LEU . 5.3 t80 -70.29 -51.57 29.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -49.69 61.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.59 -27.28 38.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.39 -46.1 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.492 HD13 ' CG ' ' A' ' 91' ' ' TYR . 37.6 pt -93.07 29.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -109.54 -13.16 14.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.24 74.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -94.47 17.06 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 49.58 42.59 23.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 t -171.84 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LYS . 81.7 mt -69.05 140.03 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -67.37 72.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -146.24 20.27 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.12 94.71 1.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.46 173.54 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.2 m -89.08 16.7 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.1 p -138.33 158.1 44.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.6 -162.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.465 ' CE ' ' HG2' ' A' ' 32' ' ' GLU . 3.2 ptmm? -81.59 121.2 26.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.6 mt -105.69 4.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.61 -92.11 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.8 -167.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -143.73 44.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -114.27 48.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CG ' HD13 ' A' ' 71' ' ' ILE . 14.9 m-30 -91.89 18.27 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.3 m -51.76 120.1 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 99' ' ' LEU . 12.2 mt -73.52 173.07 10.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.91 -18.1 70.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.25 10.25 40.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.43 8.67 63.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -74.41 149.5 40.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 p -98.65 74.17 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.507 HD21 ' CE1' ' A' ' 67' ' ' PHE . 4.1 tp -48.79 104.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.17 170.4 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.09 143.43 53.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.01 34.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.31 75.79 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.26 10.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.77 -34.54 78.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.29 -24.79 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.14 -43.4 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 37' ' ' ILE . 34.6 pt -88.62 12.19 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -53.33 -32.05 47.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.74 -44.88 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -72.73 -47.2 48.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 41' ' ' VAL . 78.0 t -43.86 117.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.38 84.95 42.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.67 63.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -124.24 143.49 42.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -161.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -91.18 39.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.3 pp -90.68 -18.35 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' ILE . 2.2 tm-20 -46.04 158.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -51.26 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 120' ' ' GLU . 81.8 mt -135.14 152.24 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.01 5.74 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.94 -54.6 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -63.85 -53.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -52.66 -51.03 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.445 ' O ' ' CG1' ' A' ' 131' ' ' ILE . 5.8 mtt180 -47.44 -29.68 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 ttp -92.65 -48.9 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -27.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 40.3 t -110.83 43.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 127' ' ' ARG . 3.7 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.518 0.199 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.7 tt 64.96 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 173.72 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.416 ' CD1' HD13 ' A' ' 61' ' ' LEU . 2.2 pt -66.78 147.43 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -99.77 158.58 31.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -17.41 19.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -34.23 65.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.72 -37.48 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -56.15 -49.98 72.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.33 -31.41 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.9 t -59.95 -41.82 92.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -87.28 -48.6 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -65.56 118.81 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 m -92.07 38.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.58 114.95 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.04 -28.12 16.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 m -64.32 -38.88 92.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.19 -32.97 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -67.92 -55.24 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' ARG . 9.3 t -54.69 -44.3 73.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -45.77 133.49 6.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.28 42.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -66.62 -35.42 80.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.14 -32.14 70.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 26.0 mt -90.06 -43.74 10.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.8 mt -52.67 -41.83 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -56.64 -61.19 2.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.26 -32.65 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 12.6 m-20 -73.42 -41.25 63.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.2 mt -60.88 -50.19 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.55 -30.57 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.21 75.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -76.49 -45.98 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.42 ' CA ' HD23 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -57.97 -39.0 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.97 -33.98 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.59 -48.43 32.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.44 ' CD1' HD22 ' A' ' 61' ' ' LEU . 41.9 mt -61.91 -36.35 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.27 -35.18 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.1 -22.85 61.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -75.34 -47.03 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 42' ' ' GLY . 26.9 m -78.5 -32.03 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 78.32 36.17 31.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 91.5 m-70 -160.08 143.26 13.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 0.78 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -113.94 142.98 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.41 104.04 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -129.79 39.87 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.14 109.94 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.93 -20.44 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 26.01 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.1 t80 179.17 61.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 18.3 mt -125.8 76.85 70.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.08 32.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.436 1.756 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 2' ' ' LEU . 2.8 tp -169.46 72.54 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.95 -176.57 2.93 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -38.77 81.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.0 p -54.05 -48.7 70.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.94 -51.62 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -38.18 65.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.78 -48.4 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.9 83.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -70.14 -40.48 74.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 10.7 mt -63.5 -39.3 94.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -70.84 -52.55 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.2 -47.77 84.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 21.0 t -57.92 -40.9 81.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.143 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.41 -41.8 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' HD23 ' A' ' 99' ' ' LEU . 22.4 t80 -55.24 -57.15 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 -46.58 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.0 -30.94 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.77 -48.97 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 91' ' ' TYR . 11.2 pt -92.78 27.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -103.01 -25.78 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.04 57.24 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -112.02 107.75 16.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' ASP . 1.9 tp10 38.09 43.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m 44.57 65.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -51.81 165.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.1 mt -79.6 115.87 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' CE ' HG22 ' A' ' 77' ' ' ILE . 3.8 mtmp? -139.57 95.34 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.39 114.85 1.1 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 15.7 p90 -171.08 -51.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 ' N ' ' CD2' ' A' ' 81' ' ' TYR . 18.8 m -143.72 15.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' GLU . 2.0 m 55.41 174.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' THR . 1.5 tp10 59.13 151.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -78.87 110.48 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.7 -146.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.59 -118.41 3.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 44.0 -164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -118.72 124.09 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 2.3 m 174.76 41.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.469 ' CG ' HD12 ' A' ' 71' ' ' ILE . 58.9 m-85 -119.4 73.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 m -67.64 137.25 55.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 77' ' ' ILE . 60.1 mt -83.73 172.48 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.76 -16.14 76.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.49 9.72 33.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.19 20.34 79.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.0 m -95.87 159.36 15.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.4 p -114.51 88.53 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD23 ' CD1' ' A' ' 67' ' ' PHE . 2.2 tp -61.78 105.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.97 162.15 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -41.06 147.53 0.42 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.11 72.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.4 23.34 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.6 t80 -69.28 -44.9 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.93 -25.64 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.39 -44.39 65.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.8 pt -83.67 -19.37 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 10.3 ttpt -56.26 -20.4 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -62.89 -43.63 98.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -122.05 42.43 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 0.9 OUTLIER -79.85 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.1 tptt 51.04 80.69 0.28 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 127.83 11.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.08 70.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -139.84 119.28 8.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -161.42 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 44.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.89 -15.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' ILE . 29.4 tt0 -39.06 156.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.51 87.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 120' ' ' GLU . 63.0 mt -125.89 156.46 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 69.12 7.48 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.11 -56.35 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -57.26 -49.79 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.61 -52.34 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -27.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.1 mmt -91.47 -52.64 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -30.25 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 60.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.537 0.208 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 3' ' ' LEU . 2.9 tm? -48.44 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 167.58 -41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.21 167.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -120.17 166.26 15.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -32.57 5.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.431 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 59.5 m-20 -50.3 -34.13 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.5 -36.75 52.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' CD2' HD23 ' A' ' 26' ' ' LEU . 10.5 tp -52.83 -48.92 66.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.94 -32.69 71.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -61.35 -38.7 87.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 12.4 t80 -86.34 -44.1 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -83.03 122.59 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -95.04 26.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -93.76 133.09 37.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.38 -34.25 76.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 m -58.8 -43.4 90.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.12 -40.69 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -53.24 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -56.94 -20.05 21.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' CZ ' ' HA2' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -73.25 134.47 80.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.84 43.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.92 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.29 -42.53 77.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.87 -43.88 34.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 9' ' ' LEU . 15.6 mt -55.68 -40.41 72.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -58.59 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -55.38 -28.99 57.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -76.91 -51.95 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -50.9 -50.76 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 4.6 mt -59.86 -33.04 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -37.95 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.89 -35.72 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -53.55 -36.82 62.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.2 74.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -56.83 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -57.9 -50.37 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.0 -36.18 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.23 -29.81 60.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -70.02 -46.23 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.49 -29.85 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.07 41.6 31.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -176.01 127.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.596 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.81 177.79 5.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.95 84.25 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 -49.43 5.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 113.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.57 -18.09 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.41 11.35 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 43.4 t80 -162.67 67.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 32.4 mt -129.89 70.19 81.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.14 41.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -153.85 77.78 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.822 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -81.64 -31.69 32.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -62.74 -55.58 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.1 t -58.13 -54.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -54.42 -36.13 63.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.02 -48.03 39.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.87 -41.5 82.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -42.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 5.3 mt -58.59 -44.45 89.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -65.01 -50.14 67.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.15 -44.55 87.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -59.25 -36.54 75.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -77.04 -40.76 45.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 99' ' ' LEU . 7.6 t80 -52.99 -56.22 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.95 -49.75 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.0 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 11.2 tp -75.88 -49.03 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 ' CD1' ' CG ' ' A' ' 91' ' ' TYR . 10.0 pt -92.62 29.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -121.88 -42.43 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 21' ' ' ARG . . . -94.33 15.6 62.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -92.78 166.88 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.4 mt-10 -74.13 58.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' GLU . 2.8 t 84.76 -48.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 77' ' ' ILE . 0.4 OUTLIER 60.16 20.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm 63.06 126.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.37 109.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.1 116.73 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 90' ' ' SER . 1.3 p90 -172.54 -170.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 83' ' ' THR . 1.9 t -77.81 145.33 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 82' ' ' THR . 1.1 m 80.8 -174.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -110.8 -149.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -92.18 33.52 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.6 mt -74.07 -2.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.62 58.36 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.69 168.16 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -123.46 109.76 14.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 167.4 58.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.422 ' CG ' ' CD1' ' A' ' 71' ' ' ILE . 71.1 m-85 -115.88 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.5 m -51.31 160.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.58 157.37 33.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.11 -41.24 2.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.24 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.99 43.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -116.91 145.81 43.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' GLN . 3.9 p -99.61 65.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -52.68 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -126.38 118.34 24.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.65 117.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.33 8.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.4 69.4 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 10.4 m -119.26 15.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -43.43 70.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.77 -25.05 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -52.07 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' TYR . 19.2 pt -75.2 -21.59 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -49.03 -23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -37.95 85.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.2 m-85 -119.33 45.32 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 113' ' ' LYS . 2.0 t -100.69 146.87 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -39.14 99.61 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -74.99 169.1 23.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.56 80.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -129.31 145.73 57.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.58 29.44 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.67 -8.53 57.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 173.49 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.21 87.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.6 mt -132.28 150.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.24 3.81 4.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.9 -56.87 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -48.29 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.5 -43.58 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -31.21 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -35.95 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.41 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.76 70.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.464 0.173 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 4' ' ' ILE . 22.2 tp -64.74 -91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -178.55 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.418 ' CD1' HG23 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -71.71 152.93 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -107.36 163.64 16.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.06 18.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -31.53 49.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.73 -30.97 56.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -50.89 71.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 3.0 pttt -67.76 -31.63 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -52.84 -40.77 63.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -91.42 -47.09 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.1 t -59.13 145.38 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -119.47 30.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -107.76 116.89 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -52.18 -29.04 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -62.97 -42.51 99.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.22 -40.58 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -63.91 -46.6 84.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 22.4 p -61.09 -54.74 40.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 145.03 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 158.79 42.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -64.09 -46.32 84.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.74 -48.12 63.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.7 -43.8 83.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.09 -42.93 69.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -54.95 41.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -54.95 -35.86 64.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.0 -51.06 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.418 HG23 ' CD1' ' A' ' 4' ' ' ILE . 60.8 mt -53.5 -50.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 12.9 mt -61.25 -32.4 72.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.64 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.11 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.3 m -58.84 -37.29 76.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.433 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.11 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -54.99 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -61.79 -43.62 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.7 mt -58.47 -40.61 79.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.58 -26.72 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 1.1 mttt -75.43 -46.95 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.579 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.2 m -84.79 1.41 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.76 40.49 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 5.3 p80 -174.42 143.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.773 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -112.64 -179.14 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.66 90.98 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -101.68 -59.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -42.03 107.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 -20.9 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.38 21.55 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.0 t80 -173.4 63.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 12.6 mt -123.54 76.41 54.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 3' ' ' LEU . 3.0 tp -144.02 79.42 13.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.13 -18.53 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 p -73.5 -48.55 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 111' ' ' TYR . 24.9 t -62.85 -54.79 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -52.39 -45.72 65.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.48 -50.97 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -53.09 -44.69 67.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -41.63 69.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.49 -41.51 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -70.96 -52.45 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.11 -52.86 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.0 p -56.95 -53.18 60.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.34 -42.59 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 99' ' ' LEU . 1.5 t80 -58.68 -47.85 83.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.89 -55.76 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.97 -30.42 34.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 15' ' ' PHE . 4.8 tp -61.52 -71.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CG2' HD23 ' A' ' 99' ' ' LEU . 2.8 pt -54.9 -38.39 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -61.72 -47.26 86.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.87 37.64 3.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -105.05 178.15 4.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.28 -45.86 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER 177.37 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 71' ' ' ILE . 2.6 mt 58.32 156.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.431 ' N ' HG21 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -118.4 145.87 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.43 18.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . 71.35 113.03 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 12.4 p90 40.59 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -137.2 118.05 14.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -110.4 -152.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.75 6.15 33.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 110.68 18.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.79 -1.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.8 86.32 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -139.22 -161.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 25.3 m-85 -115.99 49.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.416 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 10.6 m -148.79 109.55 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 90' ' ' SER . 11.8 m-85 -160.41 75.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 95' ' ' ASP . 7.4 m -55.18 122.98 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.52 -113.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -76.0 7.29 29.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.613 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 18.0 t0 91.54 59.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.36 -36.17 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 137.27 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 p -104.88 86.46 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 67' ' ' PHE . 1.6 tp -63.01 119.28 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.478 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 1.8 pm0 -102.93 149.64 24.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' CD ' ' CE2' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -41.88 157.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.21 33.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.94 86.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 14.0 m -126.0 20.07 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.66 -44.72 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.11 65.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.09 -29.19 68.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.503 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 24.6 pt -98.27 -14.74 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -68.57 -9.07 47.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.17 -36.27 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 111' ' ' TYR . 28.6 p90 -132.39 47.97 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 1.4 t -93.6 138.12 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 -178.07 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.07 66.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.94 145.03 35.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 26.45 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.15 -17.74 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' ILE . 13.4 tt0 -49.39 164.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.16 86.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 120' ' ' GLU . 46.4 mt -114.53 157.92 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.38 6.35 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -57.28 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -36.36 79.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.41 ' O ' ' CB ' ' A' ' 130' ' ' SER . 72.0 t -67.63 -36.4 76.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -74.29 -20.73 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.0 mmt -93.09 -59.37 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -56.12 -18.77 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 126' ' ' VAL . 41.6 t -86.86 -38.88 16.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 1.2 tpp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.476 0.179 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 30' ' ' ILE . 1.6 mt 165.9 154.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.17 24.85 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.13 174.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.541 ' CG2' ' HB2' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -124.69 167.64 15.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -34.13 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.541 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 1.1 m-20 -51.29 -51.05 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.01 -40.3 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -51.02 62.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.94 -29.02 66.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.7 t -65.98 -34.01 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -87.2 -45.79 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -72.06 139.57 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -107.42 31.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -106.98 129.23 54.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.12 -24.35 67.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -66.02 -47.75 73.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.05 -33.1 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -71.32 -40.57 70.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 p -67.34 -50.78 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.66 146.3 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.59 39.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.49 -27.14 65.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -30.85 70.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.2 mt -90.43 -48.62 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -44.37 -45.96 9.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.25 -47.25 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.15 -43.35 74.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.68 -39.21 67.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 2' ' ' LEU . 29.8 mt -60.13 -33.0 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.22 -31.62 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -31.52 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.12 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -30.17 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.5 80.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.15 -52.01 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.79 -36.1 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 HD12 ' CB ' ' A' ' 44' ' ' ASP . 20.2 mt -74.65 -36.46 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.4 -23.96 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -77.25 -46.8 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.92 3.53 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.61 40.4 2.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -171.39 141.84 1.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' CB ' HD12 ' A' ' 38' ' ' ILE . 19.7 p-10 -113.46 167.18 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -100.22 88.22 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -92.68 -73.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -40.43 113.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.31 -15.13 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 14.79 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 27.7 t80 -165.11 65.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 51' ' ' ILE . 23.1 mt -127.6 72.67 78.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.15 17.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.21 79.63 44.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.44 37.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.66 -17.47 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -74.84 -55.8 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 111' ' ' TYR . 55.6 t -55.44 -53.06 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -45.7 70.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.45 -50.55 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.78 69.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -38.98 65.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.5 -37.19 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -72.59 -47.34 48.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.21 -46.02 88.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 31.0 t -58.72 -44.41 90.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.2 -43.91 85.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -56.21 -56.25 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -66.3 -50.01 65.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.3 -29.46 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.1 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 73' ' ' GLY . 6.5 pt -58.03 -45.22 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . -107.76 -102.91 2.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 12.4 t70 55.01 169.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mp0 -38.73 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.52 61.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mt -66.99 155.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.3 mt -136.54 141.74 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HG2' ' CE1' ' A' ' 91' ' ' TYR . 3.7 mppt? -92.97 24.0 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.73 -96.89 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 81' ' ' TYR . 10.2 p90 -161.06 84.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' TYR . 2.7 m 77.42 21.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -106.36 162.66 13.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 6.7 mp0 -97.45 -162.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 121.2 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.0 mt -102.64 4.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.52 57.67 2.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 179.48 -176.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -38.9 102.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.495 ' OG ' ' CD2' ' A' ' 91' ' ' TYR . 26.3 p -168.91 -147.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 79' ' ' LYS . 46.7 m-85 44.38 54.53 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 m -57.32 130.86 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 99' ' ' LEU . 11.4 mt -84.63 169.84 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.98 -24.23 60.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -94.04 22.57 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.73 33.81 55.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -92.38 160.74 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.753 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 p -112.59 66.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 2.5 tp -55.43 110.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.12 175.64 5.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.61 153.71 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -177.07 3.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.564 1.823 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.7 66.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 m -106.12 18.92 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.82 66.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.03 -38.52 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 47.2 pt -87.25 -27.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -53.48 -20.96 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.02 -41.19 74.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.58 ' CZ ' ' CG2' ' A' ' 57' ' ' VAL . 41.8 p90 -125.92 40.24 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' PRO . 0.9 OUTLIER -79.69 152.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -38.92 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 178.89 6.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.1 67.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -119.25 143.47 34.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.57 40.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.2 pp -91.91 -15.15 28.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 169.83 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 50.19 -118.21 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 121' ' ' GLY . 46.6 mt 56.41 158.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 65.5 8.23 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.7 -55.76 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -53.48 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.94 -50.86 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -29.74 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 131' ' ' ILE . 15.6 mmt -95.1 -47.32 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -28.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -87.37 -32.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 128' ' ' MET . 2.6 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.473 0.178 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 61' ' ' LEU . 8.4 tp -101.01 -87.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.84 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.3 pt -77.81 179.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -129.82 163.17 48.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HA ' ' CD1' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -25.86 11.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -30.86 68.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.94 -39.35 61.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' CD2' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.89 -48.43 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.9 -29.44 66.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.79 -29.22 70.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -97.28 -44.31 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p -75.45 137.56 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -106.51 24.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.0 129.4 43.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 20' ' ' THR . 2.7 tt0 -66.08 -31.77 72.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 t -58.38 -36.09 72.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.4 t -75.14 -44.45 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -55.43 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 74.4 p -46.8 -58.14 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.0 143.81 0.46 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.65 34.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -69.84 -38.81 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -60.32 -27.4 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.92 -49.5 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 9' ' ' LEU . 11.8 mt -43.68 -42.93 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -45.5 84.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -54.96 -46.12 74.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 69' ' ' ALA . 51.2 t0 -65.68 -33.36 75.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 6' ' ' PRO . 50.5 mt -68.71 -51.18 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 mt -59.28 -32.98 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -31.73 68.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.19 -44.87 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 t -69.74 -24.38 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.45 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.87 -50.12 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.7 mt -57.0 -32.75 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.648 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 15.5 mt -64.0 -38.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -32.13 55.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 23.7 mttm -66.32 -45.86 78.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.7 m -84.92 -24.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.21 19.68 68.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.567 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 88.8 m-70 -132.14 128.15 37.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PHE . 1.4 p30 -94.01 14.53 19.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER 35.67 92.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.475 ' CA ' HD12 ' A' ' 51' ' ' ILE . 23.2 t -117.75 -59.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -38.13 122.43 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.21 54.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -168.79 -36.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 54.3 t80 -103.69 39.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 HD12 ' CA ' ' A' ' 46' ' ' SER . 96.4 mt -119.03 68.93 9.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -75.01 147.78 34.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.437 1.756 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 3' ' ' LEU . 2.7 tp -132.77 80.14 62.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.0 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -79.1 -30.91 44.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -61.32 -53.5 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -60.8 -52.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -53.58 -42.28 67.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.95 -42.2 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 104' ' ' VAL . . . -64.88 -41.51 95.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -70.3 -44.34 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.88 -44.45 82.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -66.29 -49.29 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -48.38 81.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.03 -39.38 93.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.439 ' CZ ' HD12 ' A' ' 71' ' ' ILE . 5.2 t80 -59.81 -56.06 26.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.1 -48.48 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' OD2' ' A' ' 29' ' ' ASP . . . -54.21 -27.77 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -76.27 -48.5 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 91' ' ' TYR . 19.2 pt -92.79 28.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -123.85 -44.11 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.67 -37.14 20.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -49.39 107.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.41 54.72 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.05 -51.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -50.84 132.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.84 110.43 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 2.9 ptpp? -90.02 -167.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' THR . . . -72.74 89.15 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 80' ' ' GLY . 6.3 t80 -36.57 -32.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' GLY . 31.0 p -42.44 115.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.0 m -46.19 168.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 68.76 148.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -48.23 163.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.02 -142.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.46 45.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.6 -165.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -60.52 119.49 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.21 -148.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 79' ' ' LYS . 23.8 m-85 39.21 65.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.3 m -77.63 125.31 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 93' ' ' LEU . 5.9 mt -77.57 154.85 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.02 -15.62 29.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.99 18.48 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.67 13.2 58.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 156.27 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -121.03 71.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.441 HD23 ' CG2' ' A' ' 71' ' ' ILE . 7.5 tp -44.63 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -103.35 163.82 12.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.47 146.59 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.85 53.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.501 ' CG2' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -92.98 5.45 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 109' ' ' LYS . 40.7 t80 -54.4 -35.21 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.01 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.93 -26.02 63.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 18.4 pt -106.84 -10.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . 37.6 tptt -60.69 -15.28 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.37 -47.86 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 4.0 m-30 -89.89 -1.52 58.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 114' ' ' PRO . 1.4 t -60.75 142.71 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 38.0 tttm -38.48 99.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.1 Cg_endo -75.05 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.07 67.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -141.95 143.74 29.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.73 37.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 pp -89.68 -20.54 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.79 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -55.23 92.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 77.6 mt -127.92 152.75 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.65 4.77 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.92 -56.39 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -57.95 -48.19 80.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.23 -53.7 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -33.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.85 -55.53 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -26.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.24 65.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.493 0.187 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -71.72 -158.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 1.5 tm? -125.58 -43.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 pt -61.12 -176.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 p -137.76 163.92 44.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.76 11.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.16 -33.07 69.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.44 -38.54 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.1 -50.18 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -34.34 72.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -59.56 -28.2 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.533 ' CD2' HD23 ' A' ' 62' ' ' LEU . 16.9 t80 -99.53 -47.02 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -75.14 121.86 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.77 36.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 70' ' ' LEU . 3.0 m-85 -100.09 130.19 46.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.43 -37.43 85.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -61.5 -50.26 73.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.04 -35.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -55.01 28.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 p -57.13 -46.93 82.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 134.47 1.02 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.48 41.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.2 -40.91 82.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.83 -32.07 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 mt -88.21 -44.58 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -51.7 -43.44 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.19 -57.73 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -55.99 -32.91 64.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -73.99 -37.42 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 2' ' ' LEU . 70.1 mt -74.76 -39.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 2' ' ' LEU . 6.4 mt -62.72 -48.97 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 85' ' ' LYS . 1.3 tp10 -58.72 -36.74 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.7 76.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.77 -27.96 64.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.52 81.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.88 -47.49 83.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 -40.45 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 mt -66.83 -38.27 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.34 -26.22 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -77.99 -45.31 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.9 m -88.03 -1.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 43.34 42.03 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.15 147.35 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 0.777 . . . . 0.0 109.605 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -102.41 155.21 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.45 41.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -108.36 62.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -132.17 110.95 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -28.22 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.7 pt-20 -98.15 45.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' C ' ' A' ' 51' ' ' ILE . 1.1 t80 -178.94 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.582 ' C ' ' O ' ' A' ' 50' ' ' TYR . 28.7 mt 25.58 62.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -74.98 133.39 16.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 3' ' ' LEU . 3.7 tp -167.72 72.46 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 Cg_endo -75.05 164.11 33.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.99 -23.63 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.9 p -67.99 -53.45 25.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.0 -53.77 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -42.56 24.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -73.09 -39.78 65.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.51 98.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -39.91 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 12' ' ' TYR . 8.9 mt -60.94 -40.67 94.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -71.76 -49.99 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.2 -43.11 87.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 7.9 t -68.82 -46.39 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.65 -32.37 73.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 100' ' ' GLN . 2.9 t80 -71.84 -52.57 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -70.61 -45.66 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -59.27 -27.21 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 15' ' ' PHE . 5.6 tp -68.33 -70.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' A' ' 91' ' ' TYR . 4.7 pt -58.64 -37.37 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 10.7 m-20 -40.9 -35.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ASP . . . -115.99 -97.39 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CB ' HD13 ' A' ' 77' ' ' ILE . 14.0 t70 53.53 172.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -41.69 -64.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -171.17 58.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 74' ' ' ASP . 57.1 mt -68.17 133.25 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 95.7 mt -52.92 163.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' CB ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 75.06 123.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 79' ' ' LYS . . . 73.17 122.61 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 3.2 p90 -151.5 -52.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 82' ' ' THR . 7.5 m -141.72 15.15 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -120.28 159.42 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.54 -171.93 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' CB ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -67.84 126.36 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.1 mt -108.97 2.61 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.6 26.89 53.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.94 -176.22 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.41 126.54 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.458 ' CB ' ' HG3' ' A' ' 79' ' ' LYS . 0.3 OUTLIER 170.06 41.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 79' ' ' LYS . 87.3 m-85 -91.85 93.4 8.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -82.72 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 97' ' ' SER . 7.6 mt -71.45 -157.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -32.74 -37.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.6 m-20 155.6 77.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.61 -72.69 0.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.479 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -40.68 120.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.964 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.12 72.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 67' ' ' PHE . 1.3 tp -56.39 114.21 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.506 ' O ' ' CE2' ' A' ' 67' ' ' PHE . 2.5 pm0 -111.42 170.41 8.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.1 mttp -50.37 141.46 16.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.0 155.51 42.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.16 76.03 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -104.9 22.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' LYS . 81.9 t80 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 109' ' ' LYS . . . -61.72 -27.79 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.9 -41.39 78.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.6 pt -101.88 13.93 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.36 -27.21 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.29 -22.31 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 1.3 m-85 -110.02 25.1 12.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER -81.67 158.69 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -39.7 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.49 69.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -113.15 143.22 28.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.22 40.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.46 ' C ' ' CD1' ' A' ' 119' ' ' LEU . 1.3 pp -90.62 -16.37 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -61.86 152.47 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 96.0 -131.05 10.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 121' ' ' GLY . 0.1 OUTLIER 54.75 167.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 0.7 OUTLIER 59.1 12.11 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.49 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -61.04 -50.81 71.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.71 -51.13 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.94 -31.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 mtm -95.33 -43.45 8.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -29.01 20.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -88.12 -21.27 24.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 8.4 tpp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.474 0.178 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.6 mt 166.26 134.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.73 46.61 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.45 ' CD1' HG22 ' A' ' 30' ' ' ILE . 1.5 pt -125.52 145.95 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -103.23 161.34 23.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.98 -24.14 13.15 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.08 -37.69 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.5 -37.7 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -56.03 -48.78 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.77 84.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -50.81 -30.77 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -95.81 -38.2 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -83.78 121.57 27.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.71 43.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -120.16 118.12 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 20' ' ' THR . 5.9 pt-20 -56.12 -22.3 27.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 p -61.85 -45.12 95.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.26 -34.88 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -63.62 -54.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 50.7 p -49.18 -60.77 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -41.59 136.12 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 5.2 p-10 -75.71 -40.34 55.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -57.6 -33.02 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.23 -52.35 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 6' ' ' PRO . 50.0 mt -46.75 -43.69 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.88 -53.6 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.01 -52.66 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 4' ' ' ILE . 38.4 mt -51.25 -48.91 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.71 -36.11 69.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -71.37 -30.95 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.89 -48.43 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.455 ' HB ' ' CD1' ' A' ' 2' ' ' LEU . 0.7 OUTLIER -56.86 -36.88 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.63 25.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -73.02 -53.98 9.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.454 HG23 ' CG2' ' A' ' 108' ' ' ILE . 28.4 mt -56.92 -36.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -68.35 -35.04 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.24 -28.46 62.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CB ' ' CD1' ' A' ' 108' ' ' ILE . 1.5 mttp -72.51 -44.56 62.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 43' ' ' HIS . 11.8 m -86.55 1.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.85 36.5 3.68 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 41' ' ' VAL . 3.5 p80 -164.15 145.97 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.593 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.47 163.52 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.38 94.74 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -65.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.18 113.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.42 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.77 9.67 15.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 46.2 t80 -157.71 65.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 51' ' ' ILE . 36.0 mt -133.41 66.1 73.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.76 26.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -135.04 81.56 44.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.03 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.29 -32.88 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -61.09 -47.51 85.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.23 -51.1 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -38.94 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.59 -47.22 73.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.97 -42.65 85.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -71.03 -44.18 66.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.6 mt -60.63 -36.9 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.03 -49.33 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 13.4 mt -61.62 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.416 ' OG ' ' CD1' ' A' ' 61' ' ' LEU . 57.8 m -57.06 -53.15 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 15.6 tt0 -61.01 -38.03 84.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -64.0 -43.07 96.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' LEU . 27.8 m-85 -72.3 -57.22 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -31.96 62.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 6.1 tp -59.34 -66.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 99' ' ' LEU . 11.3 pt -57.74 -48.58 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 5.4 m-20 -51.38 -49.71 61.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.1 -36.91 86.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.562 1.164 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.48 166.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.47 57.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.51 132.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' TYR . 4.7 mp -63.9 88.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -110.95 -172.86 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . -89.92 16.46 56.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 0.5 OUTLIER 65.48 -66.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -145.78 14.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.392 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 80' ' ' GLY . 10.7 m -51.89 166.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 85' ' ' LYS . 2.7 mt-10 -99.83 143.5 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER 61.36 131.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 91' ' ' TYR . 1.8 mm -111.41 -141.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.92 51.36 40.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -115.86 -157.04 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -98.84 37.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 91' ' ' TYR . 1.4 t -133.06 -147.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 39.2 m-85 47.89 32.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.3 m -49.83 124.89 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 99' ' ' LEU . 9.7 mt -74.78 165.55 25.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.25 -13.0 40.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -104.66 12.56 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.01 45.31 95.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.3 m -108.77 143.12 38.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 p -90.13 66.62 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 71' ' ' ILE . 6.1 tp -51.45 104.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -104.14 179.46 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -54.04 142.31 46.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.02 146.0 32.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.26 67.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -108.51 -14.97 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -49.91 -36.65 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.53 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 104' ' ' VAL . 40.3 mt -80.26 -45.0 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.454 ' CG2' HG23 ' A' ' 37' ' ' ILE . 17.1 pt -81.33 1.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.94 -45.04 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.9 -18.56 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.9 m-85 -129.86 29.63 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 113' ' ' LYS . 1.2 t -76.23 161.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.2 ttpt -39.95 100.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.01 -177.72 3.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.69 71.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -134.27 144.17 50.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.35 38.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 pp -91.22 -7.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 24.9 tt0 -72.96 149.75 43.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 35.39 -122.94 0.6 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 121' ' ' GLY . 39.9 mt 56.91 155.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 66.35 9.19 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.27 -34.63 11.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.85 54.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.18 -59.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -18.25 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -62.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -58.1 -25.91 61.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m -112.69 39.27 2.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' CG ' HD22 ' A' ' 31' ' ' LEU . 9.1 tpp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.78 136.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.84 63.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pt -124.13 146.75 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -92.89 158.22 38.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.88 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -35.87 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -36.79 67.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 7.0 tp -57.45 -47.83 80.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -66.62 -32.59 74.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 t -59.63 -35.7 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 29.9 t80 -93.06 -39.48 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 t -99.13 115.27 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 m -93.72 36.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -91.19 138.45 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -40.1 93.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.3 t -63.37 -36.31 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.03 -42.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.4 -54.7 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.6 t -55.75 -32.86 63.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -58.08 137.35 84.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.72 22.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -41.72 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.73 -37.62 66.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' NH1' ' A' ' 21' ' ' ARG . 24.1 mt -79.86 -54.02 6.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' CD2' ' A' ' 9' ' ' LEU . 20.4 mt -45.09 -47.12 11.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -54.21 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.87 -42.3 71.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.36 -50.77 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.8 mt -49.42 -47.19 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 1' ' ' MET . 59.7 mt -70.08 -48.35 58.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.86 -28.38 56.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.83 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 35' ' ' ALA . 1.4 t -51.76 -26.02 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 34' ' ' THR . . . -62.25 -38.02 87.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -68.27 -46.86 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.71 -44.47 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.1 mt -60.19 -35.11 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.74 -38.0 54.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 25.9 mttm -60.03 -44.38 94.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.1 m -88.43 -20.45 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 67.88 34.75 83.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 63.7 m-70 -146.7 127.94 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -102.86 123.28 46.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.33 92.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -108.96 -64.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -43.39 109.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.84 -17.95 19.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.75 14.24 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 45.8 t80 -165.02 66.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.3 mt -124.94 75.02 66.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 37.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -148.99 72.59 10.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.98 -170.94 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -41.62 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -52.99 -55.58 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.25 -55.2 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.35 -44.38 44.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.8 tp -70.02 -50.21 43.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.6 -45.44 66.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -42.3 72.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 17.1 mt -59.17 -40.46 85.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.47 -46.09 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -42.19 97.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 1.2 m -58.2 -47.43 83.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -68.14 -42.04 80.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 100' ' ' GLN . 8.2 t80 -58.93 -53.83 53.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.19 -52.69 25.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.71 -26.68 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 71' ' ' ILE . 7.0 tp -69.97 -76.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' HA ' ' CD1' ' A' ' 77' ' ' ILE . 0.9 OUTLIER -52.5 -25.47 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.17 -38.18 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -128.19 -106.5 1.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' SER . 28.2 t0 50.59 92.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 39.63 29.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.0 OUTLIER 59.69 64.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER -42.09 162.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -49.41 178.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER 90.6 25.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -33.39 95.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -167.94 38.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 81' ' ' TYR . 12.9 t 47.45 -152.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 84' ' ' GLU . 8.9 t -129.39 -160.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 83' ' ' THR . 1.9 tt0 70.89 4.74 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.483 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 13.8 ptpt -143.17 101.07 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.509 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -101.1 -146.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' ASP . . . 98.44 151.66 27.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' GLY . 3.7 m-20 -40.48 129.77 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -177.81 -155.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -93.95 146.35 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 36.8 m-85 -154.83 40.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 78' ' ' ILE . 16.6 m -43.53 167.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 95' ' ' ASP . 13.3 mt -110.08 -157.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -32.48 -37.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 1.1 m-20 154.79 77.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.72 -78.52 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 93' ' ' LEU . 11.6 t -42.93 158.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.031 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 99' ' ' LEU . 17.1 m -138.09 62.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 71' ' ' ILE . 5.0 tp -39.28 126.24 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.593 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 34.0 mm-40 -130.52 -174.6 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -45.93 130.07 7.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.43 64.12 6.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.3 m -105.28 -8.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.92 -35.12 72.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.09 -26.61 63.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.0 mt -73.87 -52.06 14.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 1.1 pt -70.34 -16.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -49.15 -38.41 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -27.84 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 45.5 m-85 -127.37 43.16 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.1 t -101.67 140.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 5.9 pttp -40.33 100.65 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.38 4.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.32 69.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.92 144.2 34.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.72 26.38 2.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 120' ' ' GLU . 2.5 pp -72.95 -29.39 63.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 119' ' ' LEU . 22.3 tt0 58.61 154.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 120' ' ' GLU . . . -57.98 87.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.2 mt -130.79 154.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 65.82 9.3 5.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.43 -37.43 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -79.09 -21.87 46.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.88 -55.34 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -23.88 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.0 tpp -80.36 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -50.54 -34.61 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.8 m -112.15 48.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.407 HG22 HD21 ' A' ' 53' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.795 HG22 ' HD2' ' A' ' 6' ' ' PRO . 1.6 m -56.51 147.23 50.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.795 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -30.65 7.02 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -67.63 -37.42 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.18 -30.96 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -67.16 -46.71 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.64 -29.62 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -60.22 -37.93 81.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -94.43 -23.6 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -96.57 119.68 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.77 35.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-85 -103.21 131.68 50.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 20' ' ' THR . 0.5 OUTLIER -64.2 -36.55 84.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -61.77 -43.03 99.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.91 -33.3 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.47 -51.76 39.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 16' ' ' GLU . 13.2 p -56.14 -48.64 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 128.87 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.89 38.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -38.56 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 7.7 pt-20 -55.26 -42.6 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 78.2 mt -79.5 -50.45 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.3 mt -43.15 -34.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.37 -54.7 21.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.49 -38.04 73.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.9 -50.16 37.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.39 -48.29 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -61.25 -40.35 93.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -26.76 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.66 -45.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -61.92 -34.57 76.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.34 -33.06 41.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.85 -51.44 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.718 HG23 HG21 ' A' ' 108' ' ' ILE . 22.5 mt -57.27 -44.59 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 43' ' ' HIS . 16.2 mt -59.75 -36.52 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.44 -35.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -63.08 -41.5 99.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -93.82 -10.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 37.33 92.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' ILE . 88.2 m-70 -151.48 142.56 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -117.67 117.72 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.86 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -106.81 -58.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.03 115.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.752 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.52 -17.37 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.38 12.21 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 51.7 t80 -163.75 67.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 48' ' ' ALA . 56.9 mt -132.24 67.61 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.39 42.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 4' ' ' ILE . 2.9 tp -140.79 73.91 27.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.502 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.0 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.73 -24.2 66.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -68.43 -55.61 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 54' ' ' PRO . 66.7 t -61.79 -54.97 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -50.2 -42.45 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.94 -42.06 63.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.12 98.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -74.32 -39.04 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.07 -41.11 96.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -70.61 -52.25 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.76 -51.34 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.428 ' OG ' HD13 ' A' ' 9' ' ' LEU . 86.8 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.5 -33.94 76.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HE1' HD23 ' A' ' 99' ' ' LEU . 1.2 t80 -69.06 -55.85 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.446 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 2.1 m-85 -61.28 -56.23 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.49 -26.65 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.467 HD22 ' CE2' ' A' ' 15' ' ' PHE . 4.7 tp -73.6 -43.83 58.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.61 HG21 HD22 ' A' ' 99' ' ' LEU . 3.5 pt -97.24 28.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 71' ' ' ILE . 5.9 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' C ' ' CE1' ' A' ' 67' ' ' PHE . 2.0 tt0 -109.7 170.36 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 67' ' ' PHE . 4.3 mttt -45.64 155.15 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HD3' ' CG ' ' A' ' 67' ' ' PHE . 18.1 Cg_endo -75.03 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -120.26 83.84 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 9.2 m -117.2 10.68 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.68 -39.92 90.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.97 64.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.26 -46.66 66.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.718 HG21 HG23 ' A' ' 37' ' ' ILE . 3.4 pt -82.4 -19.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.95 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -30.85 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' ILE . 3.4 m-85 -114.1 22.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 66.75 8.38 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 -56.66 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -57.23 -54.5 46.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.83 -59.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -35.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 tpp -86.33 -59.15 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.502 HD11 ' CG2' ' A' ' 30' ' ' ILE . 4.8 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -124.7 160.64 52.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.03 10.39 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -74.24 -32.09 62.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.9 -40.72 75.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.829 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -54.48 -51.0 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.4 pttt -67.19 -32.27 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.9 t -61.29 -30.5 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -99.78 -42.85 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -69.49 131.02 44.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.3 m -103.5 35.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.25 119.88 39.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.95 -35.53 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t -59.55 -37.32 78.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 9' ' ' LEU . 91.5 t -74.36 -35.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -68.78 -54.72 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -45.64 -54.73 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.634 ' NH2' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.68 144.61 0.77 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.85 30.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -22.79 58.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -30.53 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.634 HD13 ' NH2' ' A' ' 21' ' ' ARG . 13.9 mt -92.17 -40.21 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.829 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.5 mt -49.39 -48.67 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -46.05 86.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.92 -43.31 73.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 81.8 m-20 -70.02 -35.49 74.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 4' ' ' ILE . 31.6 mt -65.57 -51.1 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 34' ' ' THR . 2.3 mt -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 mm-40 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.19 79.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -52.54 -30.31 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -60.1 -40.96 91.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.14 -49.06 63.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.709 HG23 HG21 ' A' ' 108' ' ' ILE . 5.6 mt -60.03 -43.62 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 34' ' ' THR . 28.0 mt -62.83 -36.75 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.99 -30.78 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -67.74 -44.31 77.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -87.14 -14.33 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 40.25 96.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -171.63 136.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.41 167.91 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.17 93.16 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -101.95 -56.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.69 112.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.23 -16.38 33.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.39 10.15 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 40.0 t80 -161.08 66.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 51' ' ' ILE . 44.8 mt -133.92 68.61 75.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.42 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -131.75 76.91 73.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.99 175.84 10.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.96 -20.71 61.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -71.85 -57.1 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.22 -54.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -51.21 -42.48 60.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.3 tp -70.73 -44.54 66.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.65 82.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.37 -39.19 78.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.14 -41.91 97.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -69.37 -52.32 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.99 -42.88 81.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.417 ' HG ' ' CD1' ' A' ' 61' ' ' LEU . 73.3 m -59.73 -43.89 94.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -68.21 -33.44 74.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CE1' HD23 ' A' ' 99' ' ' LEU . 2.1 t80 -66.85 -52.99 37.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -66.76 -55.56 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.76 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 8.7 tp -71.84 -45.48 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.778 HG21 HD22 ' A' ' 99' ' ' LEU . 17.8 pt -93.24 23.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 71' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.54 169.71 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.13 156.36 20.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.02 41.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.31 66.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.832 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.63 -5.96 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.88 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.14 -42.26 72.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 37' ' ' ILE . 20.9 pt -84.7 -17.98 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -48.73 -31.61 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -44.05 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 73.3 m-85 -106.28 36.41 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 42.1 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.417 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 7.5 mt-10 64.98 9.11 5.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.61 -57.25 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -56.07 -54.13 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.9 t -52.28 -50.81 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -31.9 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.7 ttp -87.8 -39.97 14.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG12 HD22 ' A' ' 61' ' ' LEU . 1.5 pp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 8' ' ' GLU . 1.7 t -59.16 149.66 66.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.96 -16.52 20.25 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 111.037 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -75.16 -29.74 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HB2' HG23 ' A' ' 5' ' ' THR . 1.9 tm-20 -74.15 -35.68 64.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -55.01 -50.5 68.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.96 -32.13 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -61.77 -29.12 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -94.37 -40.7 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.0 p -91.12 126.2 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.0 m -92.84 32.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 70' ' ' LEU . 2.4 m-85 -90.71 115.9 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 20' ' ' THR . 12.3 tt0 -58.15 -19.41 32.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -45.03 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -70.47 -33.17 52.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -41.68 76.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 16' ' ' GLU . 2.9 p -64.69 -26.91 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' NH1' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -65.7 137.67 96.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.02 152.78 41.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.67 -21.78 65.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.0 -31.23 64.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.8 mt -92.57 -48.25 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 9' ' ' LEU . 12.9 mt -44.08 -43.75 7.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 45.0 pttt -64.77 -52.26 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.8 mt-30 -55.06 -43.42 73.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -67.5 -32.2 72.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 61' ' ' LEU . 23.7 mt -68.66 -35.58 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.89 -32.37 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.5 -42.71 99.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.55 -28.84 66.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.554 ' OG1' HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -63.46 -40.21 96.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.51 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -55.22 8.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.793 HG23 HG21 ' A' ' 108' ' ' ILE . 49.0 mt -58.76 -44.82 91.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 34' ' ' THR . 33.8 mt -59.64 -37.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.42 -26.22 63.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 4.6 mttt -73.02 -42.33 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 m -91.91 -0.21 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.21 43.02 9.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -170.49 147.3 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 109.587 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -115.87 -175.79 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -128.35 101.61 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 m -124.39 25.32 7.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -126.98 108.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.97 -21.59 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 24.97 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.2 t80 -178.78 64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -120.76 78.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.42 20.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -148.1 72.78 11.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -74.99 -179.96 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -32.52 69.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 57' ' ' VAL . 4.6 t -60.5 -54.48 44.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 56' ' ' THR . 69.2 t -61.71 -54.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.34 -42.88 22.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.85 -44.9 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -71.64 -40.74 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.15 -41.59 79.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.81 -49.49 52.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -58.19 -51.83 68.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -58.79 -53.06 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.03 -31.59 70.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 1.2 t80 -71.33 -45.5 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.63 -54.03 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.78 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.9 tp -75.38 -49.88 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.625 HG21 ' CD2' ' A' ' 99' ' ' LEU . 21.0 pt -92.53 30.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.3 172.25 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.91 145.27 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.36 73.72 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 64' ' ' LEU . 3.2 m -118.62 -0.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -59.9 -44.07 94.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.64 -25.71 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 104' ' ' VAL . 81.8 mt -68.76 -53.07 24.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.793 HG21 HG23 ' A' ' 37' ' ' ILE . 17.5 pt -73.97 -21.78 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -52.49 -21.71 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.85 -18.67 65.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 88.2 m-85 -138.81 38.63 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 71.0 6.15 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.72 -57.26 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -48.74 78.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.09 -50.93 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -32.71 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -53.42 4.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CD1' HD23 ' A' ' 61' ' ' LEU . 1.1 pt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -93.44 162.67 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.86 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -32.56 72.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -31.33 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.913 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.09 -44.93 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -66.51 -29.97 70.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -61.49 -37.98 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -89.08 -35.63 16.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -90.41 119.26 30.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -96.01 29.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.8 m-85 -98.03 129.58 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -60.39 -36.27 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -58.3 -36.18 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 9' ' ' LEU . 55.4 t -74.35 -39.31 48.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -66.2 -55.03 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 16' ' ' GLU . 73.4 p -46.16 -43.72 15.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 25' ' ' LEU . 2.1 tpm_? -55.38 126.26 61.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.05 37.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.11 -40.59 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.75 -37.99 63.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 21' ' ' ARG . 36.6 mt -87.59 -50.4 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.913 HD22 ' CD2' ' A' ' 9' ' ' LEU . 10.4 mt -44.79 -39.37 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.84 -54.13 50.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -55.15 -33.21 62.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -76.25 -51.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG23 HD21 ' A' ' 61' ' ' LEU . 22.4 mt -56.16 -34.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.883 ' O ' HG22 ' A' ' 34' ' ' THR . 17.1 mt -76.72 -32.62 57.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mm-40 -67.89 -30.47 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.33 -49.92 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 31' ' ' LEU . 13.3 t -57.0 -25.24 58.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.79 -42.1 67.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.733 HD12 HD12 ' A' ' 61' ' ' LEU . 14.5 mt -60.97 -48.81 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.571 ' HA ' HG22 ' A' ' 41' ' ' VAL . 60.8 mt -61.94 -34.88 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 8.9 mttt -81.38 -45.25 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' HA ' ' A' ' 38' ' ' ILE . 35.0 m -78.85 -12.71 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.34 41.39 87.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 2.9 p80 -171.53 135.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -108.29 107.4 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 46' ' ' SER . 27.4 m-85 -37.59 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 45' ' ' PHE . 2.8 m 33.4 72.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -178.22 111.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.57 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.52 14.35 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 22.2 t80 -166.79 67.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 51' ' ' ILE . 1.7 mt -121.11 75.64 30.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.04 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.3 mp -134.43 69.37 73.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -20.7 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -71.8 -56.96 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.18 -54.57 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -46.19 -43.43 15.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.23 -44.59 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.78 79.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -71.07 -42.67 69.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 58' ' ' ARG . 15.3 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -73.14 -51.33 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -64.81 -34.81 79.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD22 ' A' ' 9' ' ' LEU . 9.0 t -56.87 -38.71 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -75.68 -41.03 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 99' ' ' LEU . 6.0 t80 -52.41 -53.74 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.51 -51.82 32.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.35 -26.68 31.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.6 -48.23 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.4 pt -92.37 29.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 67' ' ' PHE . 8.8 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -115.22 10.73 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER 87.85 143.42 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.0 135.63 19.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -78.75 76.58 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 107' ' ' LEU . 13.7 m -93.4 17.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.7 t80 -63.03 -39.32 94.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.1 -28.65 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.586 HD12 ' HB ' ' A' ' 104' ' ' VAL . 73.0 mt -70.92 -44.88 65.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.956 ' O ' HG23 ' A' ' 112' ' ' VAL . 26.2 pt -84.64 -9.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -60.21 -15.82 27.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -29.21 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 72.9 m-85 -127.04 40.12 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 70.15 6.54 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.96 -53.39 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -16.5 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.67 -47.88 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -27.41 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 129' ' ' ARG . 10.1 ptp -88.71 -37.22 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 128' ' ' MET . 1.1 mpt_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -62.13 161.25 25.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.17 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.99 -34.27 77.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -32.23 60.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 26' ' ' LEU . 3.6 tp -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' SER . 8.1 ptmt -66.6 -32.68 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.1 t -52.16 -42.24 63.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -91.92 -45.51 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -79.19 122.51 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.43 39.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.7 m-30 -102.64 118.35 36.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -51.41 -36.31 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -60.83 -43.21 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD21 ' A' ' 9' ' ' LEU . 93.3 t -73.43 -36.66 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -54.56 21.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' GLU . 21.6 p -51.18 -55.06 19.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.706 HH12 HD13 ' A' ' 25' ' ' LEU . 10.5 mtt-85 -40.1 137.81 1.18 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.11 -42.9 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.83 -34.34 62.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 HH12 ' A' ' 21' ' ' ARG . 24.4 mt -86.17 -50.83 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 9' ' ' LEU . 14.5 mt -43.38 -34.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -64.34 -52.72 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -58.22 -33.83 69.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -76.34 -40.17 52.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mt -61.57 -48.39 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.73 -31.5 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -56.85 -40.9 76.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -72.66 -44.24 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -44.43 -43.83 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.27 76.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.44 -51.93 67.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.8 mt -57.25 -51.65 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 59.8 mt -54.93 -35.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.9 -28.36 64.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 6.3 mttp -73.72 -46.47 45.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' VAL . 7.8 m -75.69 -34.64 29.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.98 35.22 19.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' ILE . 4.6 p80 -171.98 150.0 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -111.45 156.77 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -95.6 74.49 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -53.36 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -52.42 110.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -15.18 59.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.04 13.65 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 16.7 t80 -164.99 67.43 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 51' ' ' ILE . 5.8 mt -126.65 73.3 74.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.27 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.91 76.1 28.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -74.96 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -24.96 59.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 p -67.64 -54.14 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.21 -54.99 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -39.89 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.07 -38.62 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.21 99.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.9 mt -62.73 -39.67 94.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -72.71 -52.3 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.11 -44.73 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.5 t -57.42 -51.21 70.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.56 -42.48 91.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 99' ' ' LEU . 8.6 t80 -55.9 -51.24 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -51.47 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.41 -27.77 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 tp -69.47 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -48.47 -34.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 67' ' ' PHE . 11.6 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -112.2 -179.43 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 137.04 87.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.08 150.11 37.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.79 69.67 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -108.45 -15.25 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 109' ' ' LYS . 29.7 t80 -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.97 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -78.8 -17.54 55.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 pt -121.61 7.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.51 -23.43 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -83.91 -38.17 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 9.0 m-85 -98.26 36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 52.9 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 1.1 mt-10 70.38 6.7 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.41 -57.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -56.97 -53.88 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.09 -58.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -32.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.8 mmt -88.95 -57.12 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -86.92 159.09 52.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -74.99 -32.39 5.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 5' ' ' THR . 4.4 t70 -53.27 -29.5 33.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -40.55 48.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD13 ' OG ' ' A' ' 65' ' ' SER . 3.0 tp -53.17 -50.27 64.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.84 -30.55 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 6.2 t -65.22 -31.25 72.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -97.02 -42.16 8.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -73.99 125.47 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.06 31.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 70' ' ' LEU . 9.6 m-85 -106.42 115.86 30.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tp10 -52.36 -30.65 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -61.69 -38.96 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 69' ' ' ALA . 75.6 t -73.35 -44.11 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -59.05 -51.08 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 16' ' ' GLU . 5.8 p -52.66 -49.6 64.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 72' ' ' ASN . 4.8 ttt-85 -46.98 142.48 5.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.5 Cg_endo -74.96 157.6 42.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.13 -32.74 73.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.5 -34.46 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.5 mt -86.41 -44.95 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.9 mt -49.79 -50.6 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -44.68 94.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -54.95 -40.04 69.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -72.33 -44.02 63.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -39.1 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 mt -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -29.87 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -70.01 -36.24 74.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -67.67 -27.41 66.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.69 76.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -76.64 -38.68 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 61' ' ' LEU . 6.2 mt -66.73 -50.45 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.557 HG23 ' C ' ' A' ' 43' ' ' HIS . 70.5 mt -59.33 -35.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.75 -25.74 67.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.618 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -78.8 -46.84 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 111' ' ' TYR . 27.2 m -86.94 5.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.52 41.13 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' C ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -171.46 142.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' HG21 ' A' ' 38' ' ' ILE . 50.1 p30 -119.01 175.49 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.7 89.67 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.73 39.72 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.3 m-20 -143.51 112.43 6.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -52.7 -23.3 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.1 25.53 4.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . 81.4 t80 -174.52 57.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 51' ' ' ILE . 43.2 mt -132.24 71.85 79.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.65 41.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -137.62 79.02 35.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -82.8 -20.3 36.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.08 -56.79 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 111' ' ' TYR . 46.2 t -58.42 -55.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -47.89 -46.11 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.91 -44.57 65.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.16 76.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.98 -41.12 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.16 -42.51 98.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -67.07 -47.13 72.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -62.78 -49.44 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.594 ' OG ' HD13 ' A' ' 9' ' ' LEU . 84.0 p -57.35 -34.97 69.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.32 -40.71 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.63 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.9 t80 -59.3 -55.05 39.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 11.2 m-85 -66.53 -51.24 58.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.53 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.07 -27.5 20.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 15' ' ' PHE . 6.2 tp -76.38 -48.0 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.568 ' CG2' HD22 ' A' ' 99' ' ' LEU . 28.2 pt -93.77 28.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 26.3 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.3 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -99.71 175.42 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 154.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -112.93 48.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 107' ' ' LEU . 7.0 m -95.26 16.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.34 -44.61 67.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.86 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 104' ' ' VAL . 75.4 mt -65.81 -45.55 81.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 40' ' ' LYS . 11.2 pt -79.53 -29.43 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ttpt -50.78 -22.61 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -44.8 76.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 25.6 p90 -128.49 52.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.464 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.08 5.64 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.99 -49.96 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -46.98 71.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.19 -55.28 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.55 -31.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.5 mmt -89.28 -60.04 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.535 HD11 ' CG2' ' A' ' 30' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.531 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -100.04 150.99 37.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -21.31 15.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -30.26 68.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' H ' HG23 ' A' ' 5' ' ' THR . 34.0 mt-10 -75.47 -36.29 60.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 26' ' ' LEU . 4.2 tp -52.53 -50.76 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 19' ' ' LYS . 12.7 pttt -68.35 -36.77 79.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -58.94 -38.99 80.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -83.15 -41.03 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -74.42 149.86 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 m -104.88 -20.62 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.4 m-85 -59.83 127.84 33.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 20' ' ' THR . 3.3 tt0 -65.18 -26.83 68.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 m -61.83 -50.33 72.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' HD21 ' A' ' 26' ' ' LEU . 90.9 t -62.97 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 10' ' ' LYS . 4.3 mttm -66.43 -54.61 22.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 16' ' ' GLU . 24.1 p -52.57 -51.37 60.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' CG ' ' HD2' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -39.39 146.29 0.36 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.01 155.7 42.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -32.3 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.12 -28.09 69.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.9 mt -91.7 -40.06 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 9' ' ' LEU . 51.5 mt -49.91 -51.09 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.42 90.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.13 -38.71 68.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -77.23 -33.36 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 61' ' ' LEU . 8.3 mt -70.5 -51.43 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 34' ' ' THR . 11.7 mt -55.29 -32.35 62.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.85 -29.53 55.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.96 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -62.81 -31.72 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.62 84.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -50.74 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.587 HG23 HG21 ' A' ' 108' ' ' ILE . 15.5 mt -57.63 -38.33 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' A' ' 41' ' ' VAL . 50.3 mt -70.43 -35.1 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -23.11 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -80.94 -46.95 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 38' ' ' ILE . 27.5 m -75.76 -26.06 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.1 40.61 50.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -176.78 137.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -98.22 -174.46 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -124.83 80.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -90.37 -57.37 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.57 113.79 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.809 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -64.26 -14.38 55.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 10.2 tt0 -91.43 16.8 9.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 38.3 t80 -167.26 63.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 48' ' ' ALA . 45.3 mt -132.11 68.41 80.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -127.94 85.34 60.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -75.0 -171.62 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.54 -20.19 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' VAL . 12.3 p -73.24 -56.98 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 54.6 t -56.18 -52.68 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.8 mtp85 -52.26 -46.81 65.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 63' ' ' LYS . 2.4 tp -65.08 -50.77 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -55.85 -41.97 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.05 -47.06 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 58' ' ' ARG . 6.0 mt -62.4 -37.86 87.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HD2' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.0 -52.92 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 m -58.87 -37.49 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -70.65 -45.4 65.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.8 t80 -58.36 -52.19 66.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.88 -53.83 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.06 42.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.3 tp -69.3 -67.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.642 ' CG2' HD22 ' A' ' 99' ' ' LEU . 3.5 pt -58.5 -44.38 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.642 HD22 ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -100.9 160.64 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -44.16 160.63 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.62 36.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 85.24 7.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.469 HG21 ' HB1' ' A' ' 60' ' ' ALA . 1.2 m -130.27 16.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -41.15 87.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.63 63.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.16 -40.66 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.587 HG21 HG23 ' A' ' 37' ' ' ILE . 11.9 pt -86.76 -16.54 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -53.28 -21.04 4.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -25.47 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 82.0 m-85 -133.19 46.91 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.2 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 87.8 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.55 8.19 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.64 -48.85 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -52.97 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.8 t -48.79 -49.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -29.75 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.02 -47.9 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -123.07 167.1 15.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.05 -33.23 4.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -50.88 -49.35 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 5' ' ' THR . 49.4 mt-10 -62.49 -38.0 88.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.994 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.85 -50.9 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 pttt -69.16 -31.09 69.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.19 -37.06 83.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 4.0 t80 -89.17 -44.4 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -74.87 146.2 42.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 26.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.622 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -92.64 137.64 32.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' THR . 2.4 tt0 -66.72 -37.48 84.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -50.96 70.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 HD11 ' A' ' 9' ' ' LEU . 91.4 t -62.58 -39.83 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -55.01 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' GLU . 30.1 p -53.87 -48.11 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 144.17 5.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.97 28.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.49 -35.57 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.06 -27.74 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.9 mt -89.9 -43.99 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 HD21 ' A' ' 9' ' ' LEU . 21.2 mt -55.04 -47.01 75.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -59.04 -44.26 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -55.82 -36.62 67.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -48.64 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -53.41 -36.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 34' ' ' THR . 5.1 mt -70.36 -36.79 74.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.12 -25.01 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -72.52 -45.29 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.8 t -60.03 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.55 99.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.26 -49.89 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.69 HG23 HG21 ' A' ' 108' ' ' ILE . 14.1 mt -59.63 -42.48 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.733 HD13 ' CG ' ' A' ' 44' ' ' ASP . 44.5 mt -62.47 -35.31 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -24.09 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 2.8 mttp -75.09 -46.6 33.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 43' ' ' HIS . 28.0 m -81.75 -34.14 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.97 25.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.577 ' H ' HG23 ' A' ' 41' ' ' VAL . 91.5 m-70 -147.71 135.46 21.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.562 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.733 ' CG ' HD13 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -97.86 15.85 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 39.6 79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -100.84 -40.32 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 118.12 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -62.39 -15.06 46.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -94.8 15.88 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 29.0 t80 -164.57 61.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 51' ' ' ILE . 34.7 mt -134.61 66.37 69.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.33 31.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -139.08 73.38 38.43 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -40.11 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 t -55.25 -43.07 74.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.24 -52.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -51.99 -37.5 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.46 -47.04 52.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.13 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -70.05 -41.89 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.99 -45.25 83.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.22 -47.71 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -43.74 96.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.532 ' OG ' HD22 ' A' ' 9' ' ' LEU . 46.8 t -57.7 -44.64 86.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -71.39 -38.12 71.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.56 -49.14 76.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -72.89 -52.73 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.69 -26.82 15.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.6 tp -70.64 -42.18 71.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.532 ' CG2' HD22 ' A' ' 99' ' ' LEU . 1.9 pt -97.96 22.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.532 HD22 ' CG2' ' A' ' 71' ' ' ILE . 6.2 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -91.69 154.17 19.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NZ ' ' A' ' 40' ' ' LYS . 6.4 mttt -40.84 150.24 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 154.01 41.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -78.06 68.31 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.41 -11.69 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -51.61 -33.29 32.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -29.64 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.28 -49.46 49.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.8 pt -72.97 -14.43 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -31.27 64.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -13.8 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 74.3 m-85 -140.88 41.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.1 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.51 1.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.84 -56.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -36.72 80.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.96 -50.77 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -38.71 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.38 -62.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 p -47.47 160.06 0.39 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.05 -28.9 8.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -35.06 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.94 -33.75 74.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.024 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.17 -51.03 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.3 pttm -70.29 -30.69 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.9 t -64.1 -27.07 68.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.483 ' OH ' ' CD1' ' A' ' 59' ' ' LEU . 5.7 t80 -98.92 -43.21 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 p -79.65 132.01 36.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.2 m -95.8 41.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.607 ' HE2' HD13 ' A' ' 70' ' ' LEU . 4.7 m-85 -111.01 126.6 54.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.938 ' O ' HG23 ' A' ' 20' ' ' THR . 3.9 tp10 -67.98 -35.72 78.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -59.92 -37.33 79.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.39 -33.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -69.81 -54.14 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 16' ' ' GLU . 60.1 p -48.03 -46.92 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.09 150.19 1.47 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.62 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.94 -26.69 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.63 -28.93 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.1 mt -88.55 -46.56 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.024 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.5 mt -48.71 -50.81 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 25.4 pttt -57.57 -41.93 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 33.0 mt-30 -60.49 -44.39 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.07 -45.31 81.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' A' ' 6' ' ' PRO . 70.8 mt -50.15 -31.48 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.856 ' O ' HG22 ' A' ' 34' ' ' THR . 12.4 mt -78.0 -35.46 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.856 HG22 ' O ' ' A' ' 31' ' ' LEU . 6.7 t -61.4 -24.07 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.65 89.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.48 -49.92 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.988 HD12 HD12 ' A' ' 61' ' ' LEU . 4.2 mt -58.36 -34.97 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 43' ' ' HIS . 40.2 mt -72.2 -38.52 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -31.35 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -65.64 -47.08 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.42 -23.94 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.38 39.35 36.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG23 ' A' ' 38' ' ' ILE . 6.2 p80 -171.17 145.52 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.24 162.96 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -99.55 72.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -62.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.0 110.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -63.32 -16.27 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.69 11.76 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.4 t80 -162.99 67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 48' ' ' ALA . 62.6 mt -134.06 64.15 64.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 147.17 33.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.786 ' CD2' HG23 ' A' ' 4' ' ' ILE . 2.3 tp -123.98 82.52 55.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.17 27.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.57 -38.26 90.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -55.59 -54.38 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 108' ' ' ILE . 54.4 t -63.24 -52.88 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 4' ' ' ILE . 3.5 ttp180 -47.46 -47.73 27.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' ' OH ' ' A' ' 12' ' ' TYR . 6.4 tp -61.6 -45.43 94.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.77 -41.4 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.988 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -67.14 -43.23 82.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -63.51 -42.25 98.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -67.12 -50.78 60.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -61.93 -43.67 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.1 t -56.96 -43.16 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' OE1' ' CD1' ' A' ' 15' ' ' PHE . 4.2 tt0 -70.08 -46.16 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.64 -50.8 64.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.7 m-85 -70.74 -52.94 17.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.29 -26.92 31.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' A' ' 15' ' ' PHE . 8.6 tp -71.09 -69.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.42 -16.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' TYR . 19.3 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.78 156.1 17.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 9.8 mttt -43.97 143.35 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.01 144.79 30.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.56 72.59 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' CD1' ' A' ' 64' ' ' LEU . 33.5 m -96.15 13.2 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' LYS . 14.6 t80 -70.12 -33.3 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.59 -25.68 65.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -44.25 48.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.829 HG21 ' CG2' ' A' ' 37' ' ' ILE . 1.3 pt -93.7 7.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 105' ' ' TYR . 11.4 tttp -64.39 -19.9 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.14 -46.02 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -77.99 -32.77 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 108' ' ' ILE . 6.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 65.56 9.25 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.57 -42.32 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -51.47 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.23 -54.41 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -42.26 -32.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -61.98 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.453 ' CG1' HG21 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 8' ' ' GLU . 8.9 t -100.02 146.26 31.61 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.95 -10.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.59 -30.91 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.504 ' H ' HG23 ' A' ' 5' ' ' THR . 4.3 mm-40 -77.27 -35.66 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.98 -50.89 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -66.93 -30.98 71.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.3 t -64.08 -31.43 72.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -96.01 -25.34 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -92.16 141.08 28.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.3 24.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 70' ' ' LEU . 1.1 m-85 -99.22 125.48 44.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' THR . 2.8 tt0 -59.5 -33.76 71.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.67 -42.54 97.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.09 -36.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -53.87 30.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 16' ' ' GLU . 16.3 p -55.78 -49.12 74.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 72' ' ' ASN . 1.1 ttt85 -40.58 135.97 1.49 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 167.37 27.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.77 -36.04 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.1 -34.77 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD12 ' CG ' ' A' ' 22' ' ' PRO . 41.9 mt -86.1 -44.96 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 9' ' ' LEU . 21.5 mt -54.51 -41.41 69.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -56.87 -57.24 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -54.94 -37.15 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 22.3 t70 -66.63 -42.04 87.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 27' ' ' LYS . 14.9 mt -59.27 -37.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 mt -71.82 -40.33 69.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -61.26 -28.62 69.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.07 61.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -68.36 -24.92 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.28 88.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.71 -44.86 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.747 HG23 HG21 ' A' ' 108' ' ' ILE . 36.9 mt -58.88 -42.4 85.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' HIS . 86.4 mt -64.58 -40.07 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.44 -25.08 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' CB ' HD11 ' A' ' 108' ' ' ILE . 8.9 mtpt -76.79 -45.62 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' ILE . 14.0 m -89.77 8.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.64 43.81 1.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' ILE . 3.4 p80 -170.42 144.38 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.641 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.74 156.18 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.7 84.74 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 -56.49 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.68 107.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.85 -19.31 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 12.35 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 48.9 t80 -163.81 67.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 51' ' ' ILE . 7.3 mt -123.76 76.59 56.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -142.94 76.22 17.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.02 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -19.52 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.405 ' HA ' HD22 ' A' ' 107' ' ' LEU . 10.9 p -73.98 -46.82 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 54' ' ' PRO . 88.4 t -66.01 -55.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -51.31 -43.76 61.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 tp -73.2 -38.04 66.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.97 -43.76 97.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -74.25 -37.95 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.56 -37.89 87.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -73.57 -52.63 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.67 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.02 -50.26 74.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 80.6 p -56.43 -40.32 74.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -67.29 -30.75 70.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.62 ' CE1' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.44 -47.63 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -26.65 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -64.91 -53.91 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 pt -75.28 -42.61 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' A' ' 21' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.732 HD13 ' H ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -125.23 -172.7 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 133.17 9.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.99 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.44 77.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 64' ' ' LEU . 15.1 m -91.38 21.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' LYS . 1.9 t80 -70.62 -42.79 70.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.22 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 56' ' ' THR . 84.2 mt -70.91 -47.82 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.747 HG21 HG23 ' A' ' 37' ' ' ILE . 4.9 pt -89.52 -0.35 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -61.52 -31.86 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.63 -7.59 54.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -134.01 23.42 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 67.85 8.35 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.15 -33.69 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.35 -18.48 45.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.25 -55.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -20.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 ttp -87.23 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.795 HG23 HD23 ' A' ' 53' ' ' LEU . 1.6 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -111.79 150.02 41.66 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.97 -20.02 17.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -68.47 -30.78 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.484 ' H ' HG23 ' A' ' 5' ' ' THR . 13.7 mm-40 -77.04 -35.51 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.673 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.96 -48.9 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -32.59 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.04 -41.9 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.2 t -81.13 126.0 30.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 14' ' ' VAL . 17.4 m -97.72 42.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.612 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -115.66 126.66 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.78 -16.2 62.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 20' ' ' THR . 66.7 m -70.39 -41.25 73.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 69' ' ' ALA . 59.1 t -75.33 -33.21 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -55.32 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 17' ' ' SER . 10.9 t -51.99 -21.31 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -73.67 141.58 79.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.68 -25.54 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -70.12 -29.8 66.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 25' ' ' LEU . 27.7 mt -92.17 -46.72 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 HD21 ' A' ' 9' ' ' LEU . 13.3 mt -43.26 -44.78 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -63.99 -53.47 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.14 -41.46 68.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.26 -31.27 71.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.669 HG23 HD23 ' A' ' 61' ' ' LEU . 22.6 mt -69.73 -50.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 31' ' ' LEU . 6.2 mt -62.39 -33.05 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -33.07 71.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -77.23 -33.94 56.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -41.45 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.79 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.89 -55.39 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.01 HD12 HD12 ' A' ' 61' ' ' LEU . 5.5 mt -57.92 -43.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.53 -35.39 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.54 -41.68 62.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 47.9 mttm -58.04 -44.87 87.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' HB ' ' NE2' ' A' ' 43' ' ' HIS . 26.7 m -75.0 -21.79 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 41.14 73.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 33.2 p80 -176.04 136.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.63 165.22 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' SER . 39.5 m-85 -98.75 -65.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' PHE . 27.0 m 36.45 64.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.517 ' H ' HD11 ' A' ' 51' ' ' ILE . 3.1 m-20 -168.31 114.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.52 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -107.54 19.64 19.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 27.3 t80 -167.6 54.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.2 mt -132.65 66.18 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.51 12.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.795 HD23 HG23 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -122.59 77.14 46.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.06 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.4 p -52.45 -57.7 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.367 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 -55.52 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -47.41 -44.89 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.3 -42.78 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.96 -42.61 99.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.01 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -70.55 -39.05 74.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.68 -45.06 93.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -68.42 -48.52 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -58.92 -47.54 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 m -56.78 -37.82 71.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.93 -35.73 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' HE1' HD23 ' A' ' 99' ' ' LEU . 7.3 t80 -63.18 -45.84 89.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -54.0 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.73 -26.86 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.09 -51.06 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.878 HG21 HD22 ' A' ' 99' ' ' LEU . 14.0 pt -91.93 30.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.878 HD22 HG21 ' A' ' 71' ' ' ILE . 3.0 tt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -100.84 -174.87 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.6 mptt -54.74 158.16 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.02 80.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 6.5 m -116.61 20.19 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.19 -36.82 80.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.23 66.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.14 -52.99 12.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.7 pt -70.52 -22.0 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -51.04 -22.26 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 47.0 t0 -58.21 -51.19 70.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 110' ' ' ASP . 1.0 OUTLIER -119.73 50.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.468 HG22 ' HG3' ' A' ' 123' ' ' GLU . 2.1 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.6 mt-10 72.26 5.03 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -52.94 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -52.57 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 67.5 t -50.51 -53.79 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -32.86 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -83.4 -61.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 61' ' ' LEU . 6.6 pt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.795 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -116.36 167.9 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.01 -33.95 4.18 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.795 ' H ' HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -53.21 -50.62 64.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.526 ' H ' HG22 ' A' ' 5' ' ' THR . 48.8 mt-10 -67.93 -38.86 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 26' ' ' LEU . 21.5 tp -52.59 -51.07 61.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -33.03 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -67.11 -33.49 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -90.81 -49.01 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -77.37 128.14 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -103.32 19.56 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.78 117.06 25.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 20' ' ' THR . 14.4 tt0 -49.33 -24.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -71.44 -39.04 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 9' ' ' LEU . 61.5 t -75.86 -32.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -68.21 -55.43 12.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 16' ' ' GLU . 2.8 t -58.43 -37.55 75.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.791 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.53 131.58 2.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.597 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.96 142.01 27.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.64 -34.63 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.26 -28.34 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 21' ' ' ARG . 24.5 mt -89.69 -52.53 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 9' ' ' LEU . 21.3 mt -46.0 -45.34 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -56.25 18.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -58.6 -41.48 85.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.75 -47.98 82.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.63 -50.35 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.99 -40.65 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -55.0 -33.42 62.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.436 HG23 HD12 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -47.21 -48.88 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.82 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.1 -55.46 16.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.856 HG23 HG21 ' A' ' 108' ' ' ILE . 5.4 mt -61.84 -33.39 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 14.9 mt -73.18 -35.45 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.54 -22.99 61.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -75.58 -43.99 45.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 111' ' ' TYR . 32.3 m -84.6 -24.29 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 67.62 38.98 90.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 99.5 m-70 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -92.18 159.27 15.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 102.01 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.2 -41.49 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.47 119.45 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.97 -16.51 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -87.17 9.77 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 49.3 t80 -161.8 65.32 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 51' ' ' ILE . 59.0 mt -138.72 64.48 36.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 151.86 39.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tp -137.64 76.34 42.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.34 33.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.18 -39.09 81.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 t -54.19 -44.96 72.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.66 -54.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -48.03 -38.81 18.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.5 -49.61 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.27 -46.16 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -69.34 -43.43 73.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.84 -36.77 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -72.94 -51.68 17.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.58 -47.72 81.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.41 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -60.34 -49.56 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.69 -32.53 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 99' ' ' LEU . 5.3 t80 -70.29 -51.57 29.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -49.69 61.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.59 -27.28 38.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.39 -46.1 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 pt -93.07 29.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.487 HD23 ' CE1' ' A' ' 67' ' ' PHE . 4.1 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.17 170.4 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.09 143.43 53.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.01 34.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.31 75.79 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.26 10.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.77 -34.54 78.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.29 -24.79 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.14 -43.4 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.856 HG21 HG23 ' A' ' 37' ' ' ILE . 34.6 pt -88.62 12.19 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -53.33 -32.05 47.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.74 -44.88 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' HB3' HG11 ' A' ' 41' ' ' VAL . 4.4 m-30 -72.73 -47.2 48.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 108' ' ' ILE . 78.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.01 5.74 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.94 -54.6 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -63.85 -53.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -52.66 -51.03 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -47.44 -29.68 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 ttp -92.65 -48.9 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 61' ' ' LEU . 2.2 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -99.77 158.58 31.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -17.41 19.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -34.23 65.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.72 -37.48 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD21 HD22 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -56.15 -49.98 72.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.33 -31.41 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.9 t -59.95 -41.82 92.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -87.28 -48.6 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -65.56 118.81 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.1 m -92.07 38.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.58 114.95 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.04 -28.12 16.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 20' ' ' THR . 14.8 m -64.32 -38.88 92.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.19 -32.97 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -67.92 -55.24 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 17' ' ' SER . 9.3 t -54.69 -44.3 73.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -45.77 133.49 6.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.28 42.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -66.62 -35.42 80.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.14 -32.14 70.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 26.0 mt -90.06 -43.74 10.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD22 HD21 ' A' ' 9' ' ' LEU . 26.8 mt -52.67 -41.83 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -56.64 -61.19 2.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.26 -32.65 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 12.6 m-20 -73.42 -41.25 63.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 61' ' ' LEU . 21.2 mt -60.88 -50.19 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.55 -30.57 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.21 75.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.49 -45.98 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.507 ' N ' HD21 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -57.97 -39.0 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.97 -33.98 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.59 -48.43 32.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 61' ' ' LEU . 41.9 mt -61.91 -36.35 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.27 -35.18 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.1 -22.85 61.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -75.34 -47.03 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 112' ' ' VAL . 26.9 m -78.5 -32.03 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 78.32 36.17 31.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 72.9 m80 -160.08 143.26 13.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 0.78 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -113.94 142.98 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.41 104.04 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -129.79 39.87 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.14 109.94 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -53.93 -20.44 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 26.01 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.1 t80 179.17 61.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 51' ' ' ILE . 18.3 mt -125.8 76.85 70.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.08 32.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.436 1.756 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tp -169.46 72.54 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.95 -176.57 2.93 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -38.77 81.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.428 ' H ' HG23 ' A' ' 56' ' ' THR . 43.0 p -54.05 -48.7 70.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.94 -51.62 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -38.18 65.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.78 -48.4 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -57.56 -42.9 83.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -70.14 -40.48 74.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 10.7 mt -63.5 -39.3 94.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -70.84 -52.55 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -60.2 -47.77 84.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 21.0 t -57.92 -40.9 81.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.143 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.41 -41.8 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 99' ' ' LEU . 22.4 t80 -55.24 -57.15 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 -46.58 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.0 -30.94 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.77 -48.97 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.596 ' CG2' HD22 ' A' ' 99' ' ' LEU . 11.2 pt -92.78 27.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CG2' ' A' ' 71' ' ' ILE . 2.2 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.97 162.15 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 11.7 mttm -41.06 147.53 0.42 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.03 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.11 72.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.442 HG21 ' HB1' ' A' ' 60' ' ' ALA . 2.4 m -110.4 23.34 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.6 t80 -69.28 -44.9 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.93 -25.64 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.39 -44.39 65.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 37' ' ' ILE . 20.8 pt -83.67 -19.37 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 105' ' ' TYR . 10.3 ttpt -56.26 -20.4 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -62.89 -43.63 98.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -122.05 42.43 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.767 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 69.12 7.48 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.11 -56.35 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -57.26 -49.79 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.61 -52.34 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -27.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.1 mmt -91.47 -52.64 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -120.17 166.26 15.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -32.57 5.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.776 ' H ' HG23 ' A' ' 5' ' ' THR . 59.5 m-20 -50.3 -34.13 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.5 -36.75 52.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 26' ' ' LEU . 10.5 tp -52.83 -48.92 66.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.94 -32.69 71.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -61.35 -38.7 87.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 12.4 t80 -86.34 -44.1 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -83.03 122.59 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -95.04 26.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -93.76 133.09 37.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.38 -34.25 76.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 m -58.8 -43.4 90.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.611 HG22 ' CB ' ' A' ' 69' ' ' ALA . 57.7 t -67.12 -40.69 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -53.24 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -56.94 -20.05 21.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 134.47 80.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.84 43.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.92 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.29 -42.53 77.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.87 -43.88 34.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 9' ' ' LEU . 15.6 mt -55.68 -40.41 72.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -58.59 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -55.38 -28.99 57.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -76.91 -51.95 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -50.9 -50.76 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.6 mt -59.86 -33.04 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -37.95 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -75.89 -35.72 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -53.55 -36.82 62.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.2 74.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -56.83 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.578 HD12 HD23 ' A' ' 61' ' ' LEU . 35.3 mt -57.9 -50.37 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.0 -36.18 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.23 -29.81 60.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HB3' HD12 ' A' ' 108' ' ' ILE . 10.6 mttm -70.02 -46.23 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.49 -29.85 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.07 41.6 31.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -176.01 127.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.596 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.81 177.79 5.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.95 84.25 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 -49.43 5.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 113.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.57 -18.09 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.41 11.35 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 43.4 t80 -162.67 67.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.4 mt -129.89 70.19 81.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.14 41.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -153.85 77.78 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.822 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -81.64 -31.69 32.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -62.74 -55.58 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 54' ' ' PRO . 81.1 t -58.13 -54.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 62' ' ' LEU . 5.3 mtp180 -54.42 -36.13 63.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.02 -48.03 39.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.87 -41.5 82.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.9 -42.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.3 mt -58.59 -44.45 89.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -65.01 -50.14 67.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 4.1 mt -58.15 -44.55 87.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -59.25 -36.54 75.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -77.04 -40.76 45.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CD2' HD21 ' A' ' 99' ' ' LEU . 7.6 t80 -52.99 -56.22 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.95 -49.75 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.611 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -55.37 -27.0 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 11.2 tp -75.88 -49.03 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.0 pt -92.62 29.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.38 118.34 24.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.65 117.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.33 8.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.4 69.4 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 10.4 m -119.26 15.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -43.43 70.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.77 -25.05 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -52.07 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 112' ' ' VAL . 19.2 pt -75.2 -21.59 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -49.03 -23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -37.95 85.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.2 m-85 -119.33 45.32 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.24 3.81 4.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.9 -56.87 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -48.29 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.5 -43.58 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -31.21 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -35.95 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -107.36 163.64 16.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.06 18.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -31.53 49.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.73 -30.97 56.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.3 -50.89 71.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 3.0 pttt -67.76 -31.63 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -52.84 -40.77 63.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -91.42 -47.09 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.1 t -59.13 145.38 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -119.47 30.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -107.76 116.89 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -52.18 -29.04 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -62.97 -42.51 99.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.22 -40.58 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -63.91 -46.6 84.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.833 HG23 ' O ' ' A' ' 16' ' ' GLU . 22.4 p -61.09 -54.74 40.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 145.03 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 158.79 42.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -64.09 -46.32 84.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.74 -48.12 63.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.7 -43.8 83.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 HD23 ' A' ' 9' ' ' LEU . 14.4 mt -54.09 -42.93 69.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -54.95 41.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -54.95 -35.86 64.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.0 -51.06 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.5 -50.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.25 -32.4 72.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.64 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.69 -30.11 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.594 ' HA ' HD21 ' A' ' 61' ' ' LEU . 5.3 m -58.84 -37.29 76.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.433 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.11 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -54.99 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -61.79 -43.62 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 34' ' ' THR . 32.7 mt -58.47 -40.61 79.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.58 -26.72 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 108' ' ' ILE . 1.1 mttt -75.43 -46.95 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 111' ' ' TYR . 28.2 m -84.79 1.41 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.76 40.49 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 5.3 p80 -174.42 143.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.773 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -112.64 -179.14 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.66 90.98 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -101.68 -59.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -42.03 107.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 -20.9 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.38 21.55 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.0 t80 -173.4 63.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 51' ' ' ILE . 12.6 mt -123.54 76.41 54.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tp -144.02 79.42 13.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.13 -18.53 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 p -73.5 -48.55 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 24.9 t -62.85 -54.79 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 62' ' ' LEU . 8.3 mtm180 -52.39 -45.72 65.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.48 -50.97 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -53.09 -44.69 67.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -71.26 -41.63 69.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.9 mt -57.49 -41.51 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -70.96 -52.45 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -55.11 -52.86 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' OG ' HD13 ' A' ' 9' ' ' LEU . 96.0 p -56.95 -53.18 60.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -58.34 -42.59 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 99' ' ' LEU . 1.5 t80 -58.68 -47.85 83.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.89 -55.76 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.97 -30.42 34.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.8 tp -61.52 -71.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.578 ' CG2' HD22 ' A' ' 99' ' ' LEU . 2.8 pt -54.9 -38.39 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -102.93 149.64 24.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.88 157.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.21 33.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.94 86.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 14.0 m -126.0 20.07 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.66 -44.72 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.11 65.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.09 -29.19 68.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.976 ' O ' HG23 ' A' ' 112' ' ' VAL . 24.6 pt -98.27 -14.74 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -68.57 -9.07 47.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.17 -36.27 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.822 ' CE2' HG11 ' A' ' 41' ' ' VAL . 28.6 p90 -132.39 47.97 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.38 6.35 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -57.28 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -36.36 79.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.63 -36.4 76.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -74.29 -20.73 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.0 mmt -93.09 -59.37 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.75 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -124.69 167.64 15.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -34.13 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.75 ' H ' HG23 ' A' ' 5' ' ' THR . 1.1 m-20 -51.29 -51.05 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.485 ' H ' HG22 ' A' ' 5' ' ' THR . 2.2 mm-40 -60.01 -40.3 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -52.73 -51.02 62.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.94 -29.02 66.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.7 t -65.98 -34.01 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -87.2 -45.79 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -72.06 139.57 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -107.42 31.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -106.98 129.23 54.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 20' ' ' THR . 6.4 pt-20 -63.12 -24.35 67.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -66.02 -47.75 73.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.573 ' O ' HD11 ' A' ' 26' ' ' LEU . 59.3 t -67.05 -33.1 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -71.32 -40.57 70.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 16' ' ' GLU . 3.9 p -67.34 -50.78 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.66 146.3 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.59 39.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.49 -27.14 65.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -30.85 70.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 25' ' ' LEU . 26.2 mt -90.43 -48.62 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 HD21 ' A' ' 9' ' ' LEU . 14.2 mt -44.37 -45.96 9.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.25 -47.25 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.15 -43.35 74.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.68 -39.21 67.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.549 HD11 HD22 ' A' ' 9' ' ' LEU . 29.8 mt -60.13 -33.0 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 34' ' ' THR . 3.4 mt -74.22 -31.62 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -31.52 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -67.02 -26.12 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -76.36 -30.17 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.5 80.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.15 -52.01 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.482 HD12 HD22 ' A' ' 61' ' ' LEU . 10.3 mt -57.79 -36.1 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 34' ' ' THR . 20.2 mt -74.65 -36.46 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.4 -23.96 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -77.25 -46.8 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' VAL . 33.1 m -82.92 3.53 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.61 40.4 2.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -171.39 141.84 1.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.591 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -113.46 167.18 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -100.22 88.22 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -92.68 -73.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -40.43 113.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.31 -15.13 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 14.79 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 27.7 t80 -165.11 65.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 51' ' ' ILE . 23.1 mt -127.6 72.67 78.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.15 17.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 58' ' ' ARG . 2.4 tp -122.21 79.63 44.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.05 162.44 37.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.66 -17.47 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -74.84 -55.8 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 55.6 t -55.44 -53.06 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' HD2' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.57 -45.7 70.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.45 -50.55 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.78 69.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD22 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -73.31 -38.98 65.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.5 -37.19 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -72.59 -47.34 48.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -63.21 -46.02 88.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 9' ' ' LEU . 31.0 t -58.72 -44.41 90.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -66.2 -43.91 85.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -56.21 -56.25 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -66.3 -50.01 65.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.3 -29.46 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.1 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -58.03 -45.22 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.12 175.64 5.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.61 153.71 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -177.07 3.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.564 1.823 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.7 66.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.615 ' HB ' HD12 ' A' ' 107' ' ' LEU . 2.4 m -106.12 18.92 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.82 66.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 104' ' ' VAL . 87.4 mt -67.03 -38.52 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.739 HG22 ' OH ' ' A' ' 111' ' ' TYR . 47.2 pt -87.25 -27.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -53.48 -20.96 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.02 -41.19 74.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 57' ' ' VAL . 41.8 p90 -125.92 40.24 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 65.5 8.23 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.7 -55.76 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -53.48 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.94 -50.86 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -29.74 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.1 -47.32 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.678 HG23 HD21 ' A' ' 53' ' ' LEU . 6.3 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -129.82 163.17 48.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -25.86 11.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -30.86 68.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.94 -39.35 61.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.6 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.89 -48.43 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.9 -29.44 66.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.79 -29.22 70.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -97.28 -44.31 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p -75.45 137.56 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -106.51 24.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.0 129.4 43.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.949 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tt0 -66.08 -31.77 72.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 t -58.38 -36.09 72.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.4 t -75.14 -44.45 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -55.43 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 16' ' ' GLU . 74.4 p -46.8 -58.14 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.0 143.81 0.46 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.65 34.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -69.84 -38.81 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -60.32 -27.4 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.92 -49.5 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.8 mt -43.68 -42.93 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -45.5 84.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.96 -46.12 74.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 69' ' ' ALA . 51.2 t0 -65.68 -33.36 75.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 6' ' ' PRO . 50.5 mt -68.71 -51.18 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' HG22 ' A' ' 34' ' ' THR . 41.1 mt -59.28 -32.98 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -31.73 68.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.19 -44.87 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.468 ' OG1' HD11 ' A' ' 61' ' ' LEU . 1.1 t -69.74 -24.38 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.45 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.87 -50.12 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.773 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.7 mt -57.0 -32.75 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.648 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 15.5 mt -64.0 -38.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -32.13 55.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 23.7 mttm -66.32 -45.86 78.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 37' ' ' ILE . 35.7 m -84.92 -24.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.21 19.68 68.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' VAL . 88.8 m-70 -132.14 128.15 37.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PHE . 1.4 p30 -94.01 14.53 19.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER 35.67 92.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.725 ' C ' HD11 ' A' ' 51' ' ' ILE . 23.2 t -117.75 -59.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -38.13 122.43 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.21 54.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -168.79 -36.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 54.3 t80 -103.69 39.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.725 HD11 ' C ' ' A' ' 46' ' ' SER . 96.4 mt -119.03 68.93 9.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -75.01 147.78 34.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.437 1.756 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.678 HD21 HG23 ' A' ' 4' ' ' ILE . 2.7 tp -132.77 80.14 62.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.0 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -79.1 -30.91 44.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -61.32 -53.5 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -60.8 -52.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -53.58 -42.28 67.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.95 -42.2 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.838 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -64.88 -41.51 95.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD11 ' OG1' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.3 -44.34 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.88 -44.45 82.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -66.29 -49.29 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -58.74 -48.38 81.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.03 -39.38 93.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.81 -56.06 26.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.1 -48.48 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' OD2' ' A' ' 29' ' ' ASP . . . -54.21 -27.77 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -76.27 -48.5 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.2 pt -92.79 28.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -103.35 163.82 12.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.47 146.59 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.85 53.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.838 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -92.98 5.45 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 109' ' ' LYS . 40.7 t80 -54.4 -35.21 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.01 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.68 HD12 ' HB ' ' A' ' 104' ' ' VAL . 88.6 mt -70.93 -26.02 63.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.665 HG21 HG23 ' A' ' 37' ' ' ILE . 18.4 pt -106.84 -10.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . 37.6 tptt -60.69 -15.28 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.37 -47.86 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 4.0 m-30 -89.89 -1.52 58.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.65 4.77 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.92 -56.39 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -57.95 -48.19 80.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.23 -53.7 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -33.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.85 -55.53 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 pt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 p -137.76 163.92 44.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.76 11.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.16 -33.07 69.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.44 -38.54 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CD2' HD22 ' A' ' 26' ' ' LEU . 2.0 tp -56.1 -50.18 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -34.34 72.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -59.56 -28.2 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.525 ' CD2' HD22 ' A' ' 62' ' ' LEU . 16.9 t80 -99.53 -47.02 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -75.14 121.86 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.77 36.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 70' ' ' LEU . 3.0 m-85 -100.09 130.19 46.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.43 -37.43 85.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -61.5 -50.26 73.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 69' ' ' ALA . 97.2 t -65.04 -35.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -55.01 28.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 p -57.13 -46.93 82.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 134.47 1.02 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.48 41.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.2 -40.91 82.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.83 -32.07 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.4 mt -88.21 -44.58 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CD2' ' A' ' 9' ' ' LEU . 16.7 mt -51.7 -43.44 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.19 -57.73 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -55.99 -32.91 64.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -73.99 -37.42 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -74.76 -39.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 34' ' ' THR . 6.4 mt -62.72 -48.97 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.72 -36.74 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.7 76.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.77 -27.96 64.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.52 81.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.88 -47.49 83.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 HD13 ' A' ' 108' ' ' ILE . 6.7 mt -62.14 -40.45 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 mt -66.83 -38.27 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.34 -26.22 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -77.99 -45.31 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 HD12 ' A' ' 108' ' ' ILE . 10.9 m -88.03 -1.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 43.34 42.03 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.15 147.35 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 0.777 . . . . 0.0 109.605 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -102.41 155.21 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.45 41.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -108.36 62.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -132.17 110.95 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -28.22 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.7 pt-20 -98.15 45.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' C ' ' A' ' 51' ' ' ILE . 1.1 t80 -178.94 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.792 HG22 ' O ' ' A' ' 51' ' ' ILE . 28.7 mt 25.58 62.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -74.98 133.39 16.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tp -167.72 72.46 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 Cg_endo -75.05 164.11 33.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.99 -23.63 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.9 p -67.99 -53.45 25.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 108' ' ' ILE . 46.8 t -62.0 -53.77 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -47.65 -42.56 24.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -73.09 -39.78 65.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -62.26 -43.51 98.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -73.29 -39.91 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 58' ' ' ARG . 8.9 mt -60.94 -40.67 94.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -71.76 -49.99 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.2 -43.11 87.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 7.9 t -68.82 -46.39 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.65 -32.37 73.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 100' ' ' GLN . 2.9 t80 -71.84 -52.57 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -70.61 -45.66 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -59.27 -27.21 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.6 tp -68.33 -70.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 pt -58.64 -37.37 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 10.7 m-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.3 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.506 ' O ' ' CE2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -111.42 170.41 8.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.1 mttp -50.37 141.46 16.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.0 155.51 42.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.16 76.03 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.628 ' HB ' HD12 ' A' ' 107' ' ' LEU . 12.9 m -104.9 22.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' LYS . 81.9 t80 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.72 -27.79 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 104' ' ' VAL . 86.9 mt -68.9 -41.39 78.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.815 ' O ' HG23 ' A' ' 112' ' ' VAL . 14.6 pt -101.88 13.93 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.36 -27.21 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.29 -22.31 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 1.3 m-85 -110.02 25.1 12.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 122' ' ' ILE . 0.7 OUTLIER 59.1 12.11 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.49 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -61.04 -50.81 71.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.71 -51.13 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.94 -31.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 mtm -95.33 -43.45 8.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.546 HD11 ' CG2' ' A' ' 30' ' ' ILE . 1.5 pt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -103.23 161.34 23.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.98 -24.14 13.15 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.08 -37.69 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.5 -37.7 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -56.03 -48.78 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.77 84.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -50.81 -30.77 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -95.81 -38.2 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -83.78 121.57 27.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.71 43.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -120.16 118.12 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.924 ' O ' HG23 ' A' ' 20' ' ' THR . 5.9 pt-20 -56.12 -22.3 27.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 p -61.85 -45.12 95.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 9' ' ' LEU . 61.9 t -71.26 -34.88 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -63.62 -54.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 16' ' ' GLU . 50.7 p -49.18 -60.77 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -41.59 136.12 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 5.2 p-10 -75.71 -40.34 55.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -57.6 -33.02 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 25' ' ' LEU . 18.5 mt -85.23 -52.35 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 9' ' ' LEU . 50.0 mt -46.75 -43.69 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.88 -53.6 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.01 -52.66 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.546 ' CG2' HD11 ' A' ' 4' ' ' ILE . 38.4 mt -51.25 -48.91 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' THR . 6.9 mt -56.71 -36.11 69.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -71.37 -30.95 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.89 -48.43 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -56.86 -36.88 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.63 25.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -73.02 -53.98 9.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.935 HG23 HG21 ' A' ' 108' ' ' ILE . 28.4 mt -56.92 -36.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -68.35 -35.04 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.24 -28.46 62.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CB ' ' CD1' ' A' ' 108' ' ' ILE . 1.5 mttp -72.51 -44.56 62.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 112' ' ' VAL . 11.8 m -86.55 1.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.85 36.5 3.68 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -164.15 145.97 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.47 163.52 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.38 94.74 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -65.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.18 113.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.42 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.77 9.67 15.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 46.2 t80 -157.71 65.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.763 HG22 ' O ' ' A' ' 51' ' ' ILE . 36.0 mt -133.41 66.1 73.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.76 26.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD21 ' CG2' ' A' ' 4' ' ' ILE . 4.1 tp -135.04 81.56 44.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.03 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.29 -32.88 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -61.09 -47.51 85.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.23 -51.1 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -38.94 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.59 -47.22 73.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.97 -42.65 85.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -71.03 -44.18 66.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.6 mt -60.63 -36.9 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.03 -49.33 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 13.4 mt -61.62 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.416 ' OG ' ' CD1' ' A' ' 61' ' ' LEU . 57.8 m -57.06 -53.15 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 15.6 tt0 -61.01 -38.03 84.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -64.0 -43.07 96.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' LEU . 27.8 m-85 -72.3 -57.22 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' A' ' 18' ' ' VAL . . . -55.39 -31.96 62.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 15' ' ' PHE . 6.1 tp -59.34 -66.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.509 ' CG2' HD22 ' A' ' 99' ' ' LEU . 11.3 pt -57.74 -48.58 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 5.4 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD22 ' CG2' ' A' ' 71' ' ' ILE . 6.1 tp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -104.14 179.46 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -54.04 142.31 46.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.02 146.0 32.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.26 67.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -108.51 -14.97 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -49.91 -36.65 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.53 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 104' ' ' VAL . 40.3 mt -80.26 -45.0 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.935 HG21 HG23 ' A' ' 37' ' ' ILE . 17.1 pt -81.33 1.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.94 -45.04 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.9 -18.56 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.9 m-85 -129.86 29.63 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.54 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 66.35 9.19 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.27 -34.63 11.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.85 54.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.18 -59.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -18.25 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -62.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 HG21 ' A' ' 30' ' ' ILE . 2.4 pt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -92.89 158.22 38.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.88 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -35.87 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -36.79 67.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.826 ' CD2' HD22 ' A' ' 26' ' ' LEU . 7.0 tp -57.45 -47.83 80.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -66.62 -32.59 74.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 t -59.63 -35.7 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 29.9 t80 -93.06 -39.48 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 t -99.13 115.27 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.7 m -93.72 36.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.832 ' HE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-30 -91.19 138.45 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -65.32 -40.1 93.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.3 t -63.37 -36.31 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG21 ' HG3' ' A' ' 66' ' ' GLN . 99.5 t -75.03 -42.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.4 -54.7 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 16' ' ' GLU . 13.6 t -55.75 -32.86 63.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -58.08 137.35 84.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.72 22.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -41.72 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.73 -37.62 66.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' NH1' ' A' ' 21' ' ' ARG . 24.1 mt -79.86 -54.02 6.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.826 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.4 mt -45.09 -47.12 11.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -54.21 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.87 -42.3 71.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.36 -50.77 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.451 HG21 HG13 ' A' ' 4' ' ' ILE . 79.8 mt -49.42 -47.19 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 34' ' ' THR . 59.7 mt -70.08 -48.35 58.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.86 -28.38 56.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.83 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.784 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.4 t -51.76 -26.02 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.02 87.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -68.27 -46.86 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 108' ' ' ILE . 23.2 mt -65.71 -44.47 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.1 mt -60.19 -35.11 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.74 -38.0 54.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 25.9 mttm -60.03 -44.38 94.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.1 m -88.43 -20.45 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 67.88 34.75 83.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 63.7 m-70 -146.7 127.94 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -102.86 123.28 46.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.33 92.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -108.96 -64.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -43.39 109.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.84 -17.95 19.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.75 14.24 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 45.8 t80 -165.02 66.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 51' ' ' ILE . 19.3 mt -124.94 75.02 66.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 37.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -148.99 72.59 10.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.98 -170.94 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -41.62 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -52.99 -55.58 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.25 -55.2 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.35 -44.38 44.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 8.8 tp -70.02 -50.21 43.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.6 -45.44 66.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.1 -42.3 72.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 17.1 mt -59.17 -40.46 85.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.47 -46.09 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -63.88 -42.19 97.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 1.2 m -58.2 -47.43 83.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 18' ' ' VAL . 23.7 tt0 -68.14 -42.04 80.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 100' ' ' GLN . 8.2 t80 -58.93 -53.83 53.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.19 -52.69 25.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.71 -26.68 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.832 HD22 ' HE2' ' A' ' 15' ' ' PHE . 7.0 tp -69.97 -76.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.594 HD13 HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -52.5 -25.47 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 71' ' ' ILE . 5.0 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.593 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 34.0 mm-40 -130.52 -174.6 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.5 mptt -45.93 130.07 7.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.04 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.43 64.12 6.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.28 -8.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.92 -35.12 72.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.09 -26.61 63.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.0 mt -73.87 -52.06 14.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 37' ' ' ILE . 1.1 pt -70.34 -16.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -49.15 -38.41 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -27.84 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 45.5 m-85 -127.37 43.16 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 65.82 9.3 5.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.43 -37.43 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -79.09 -21.87 46.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.88 -55.34 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -23.88 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.0 tpp -80.36 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.556 0.217 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.633 HD12 HG12 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -40.77 138.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.34 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.633 HG12 HD12 ' A' ' 2' ' ' LEU . 1.1 pp -118.5 124.84 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.795 HG22 ' HD2' ' A' ' 6' ' ' PRO . 1.6 m -56.51 147.23 50.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.795 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -30.65 7.02 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -67.63 -37.42 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.18 -30.96 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -67.16 -46.71 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.64 -29.62 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -60.22 -37.93 81.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -94.43 -23.6 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -96.57 119.68 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.77 35.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-85 -103.21 131.68 50.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 20' ' ' THR . 0.5 OUTLIER -64.2 -36.55 84.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -61.77 -43.03 99.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.91 -33.3 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.47 -51.76 39.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 16' ' ' GLU . 13.2 p -56.14 -48.64 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 128.87 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.89 38.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -38.56 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 7.7 pt-20 -55.26 -42.6 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 78.2 mt -79.5 -50.45 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.3 mt -43.15 -34.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.37 -54.7 21.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.49 -38.04 73.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.9 -50.16 37.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.39 -48.29 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -61.25 -40.35 93.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -26.76 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.66 -45.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.586 ' OG1' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -61.92 -34.57 76.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.34 -33.06 41.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.85 -51.44 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.718 HG23 HG21 ' A' ' 108' ' ' ILE . 22.5 mt -57.27 -44.59 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 43' ' ' HIS . 16.2 mt -59.75 -36.52 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.44 -35.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -63.08 -41.5 99.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -93.82 -10.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 37.33 92.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' ILE . 88.2 m-70 -151.48 142.56 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -117.67 117.72 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.86 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -106.81 -58.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.03 115.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.752 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.52 -17.37 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.38 12.21 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 51.7 t80 -163.75 67.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 48' ' ' ALA . 56.9 mt -132.24 67.61 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.39 42.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 4' ' ' ILE . 2.9 tp -140.79 73.91 27.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.502 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.0 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.73 -24.2 66.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -68.43 -55.61 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 54' ' ' PRO . 66.7 t -61.79 -54.97 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -50.2 -42.45 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.94 -42.06 63.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.12 98.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -74.32 -39.04 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.07 -41.11 96.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -70.61 -52.25 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.76 -51.34 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.428 ' OG ' HD13 ' A' ' 9' ' ' LEU . 86.8 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.5 -33.94 76.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HE1' HD23 ' A' ' 99' ' ' LEU . 1.2 t80 -69.06 -55.85 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.446 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 2.1 m-85 -61.28 -56.23 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.49 -26.65 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.467 HD22 ' CE2' ' A' ' 15' ' ' PHE . 4.7 tp -73.6 -43.83 58.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.721 HD12 ' CG ' ' A' ' 91' ' ' TYR . 3.5 pt -97.24 28.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.17 -55.98 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.51 66.22 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.39 -177.06 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -39.26 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.04 61.67 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 91' ' ' TYR . 97.7 mt -72.21 140.22 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.9 mt -75.58 153.43 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -174.95 158.05 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -34.24 95.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' LYS . 7.4 p90 -50.01 -27.38 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 82' ' ' THR . 3.5 m -131.48 21.04 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.49 171.68 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.093 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -97.08 -174.77 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -72.83 125.15 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.1 mt -131.87 -148.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.524 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -150.44 51.26 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.97 -156.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.64 24.32 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 t -82.74 -146.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.721 ' CG ' HD12 ' A' ' 71' ' ' ILE . 78.1 m-85 52.57 54.77 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.0 m -65.7 120.84 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.964 HD11 HD12 ' A' ' 99' ' ' LEU . 9.8 mt -78.68 164.42 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -22.12 62.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.84 -26.58 25.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.16 33.94 3.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -103.27 140.04 37.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.51 64.64 8.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.964 HD12 HD11 ' A' ' 93' ' ' LEU . 5.9 tt -48.05 109.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' C ' ' CE1' ' A' ' 67' ' ' PHE . 1.7 tt0 -109.7 170.36 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 67' ' ' PHE . 4.3 mttt -45.64 155.15 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HD3' ' CG ' ' A' ' 67' ' ' PHE . 18.1 Cg_endo -75.03 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -120.26 83.84 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 9.2 m -117.2 10.68 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.68 -39.92 90.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.97 64.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.26 -46.66 66.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.718 HG21 HG23 ' A' ' 37' ' ' ILE . 3.4 pt -82.4 -19.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.95 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -30.85 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' ILE . 3.4 m-85 -114.1 22.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.6 t -82.13 144.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 8.7 tmtt? -41.57 101.65 0.25 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.63 70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -119.46 143.21 34.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.624 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.96 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' OD1' ' CD1' ' A' ' 122' ' ' ILE . 2.2 t0 -92.61 34.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.642 ' C ' HD12 ' A' ' 119' ' ' LEU . 2.3 pp -82.01 -22.77 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.602 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -42.77 160.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.53 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.485 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 74.3 mt -116.61 157.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 66.75 8.38 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 -56.66 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -57.23 -54.5 46.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.83 -59.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -35.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.892 ' O ' HG22 ' A' ' 131' ' ' ILE . 2.4 tpp -86.33 -59.15 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -24.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 43.9 t -76.45 -47.93 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 128' ' ' MET . 1.7 tt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.725 ' CA ' HD13 ' A' ' 31' ' ' LEU . 9.5 ptm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.522 0.201 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.682 ' CD1' HG23 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -129.72 -81.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 171.3 -34.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.682 HG23 ' CD1' ' A' ' 2' ' ' LEU . 4.8 pt -56.7 179.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -124.7 160.64 52.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.03 10.39 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -74.24 -32.09 62.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.9 -40.72 75.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.829 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -54.48 -51.0 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.4 pttt -67.19 -32.27 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.9 t -61.29 -30.5 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -99.78 -42.85 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -69.49 131.02 44.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.3 m -103.5 35.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.25 119.88 39.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.95 -35.53 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t -59.55 -37.32 78.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 9' ' ' LEU . 91.5 t -74.36 -35.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -68.78 -54.72 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -45.64 -54.73 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.634 ' NH2' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.68 144.61 0.77 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.85 30.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -22.79 58.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -30.53 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.634 HD13 ' NH2' ' A' ' 21' ' ' ARG . 13.9 mt -92.17 -40.21 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.829 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.5 mt -49.39 -48.67 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -46.05 86.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.92 -43.31 73.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 81.8 m-20 -70.02 -35.49 74.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 4' ' ' ILE . 31.6 mt -65.57 -51.1 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD13 ' CA ' ' A' ' 1' ' ' MET . 2.3 mt -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 mm-40 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.19 79.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -52.54 -30.31 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -60.1 -40.96 91.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.14 -49.06 63.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.709 HG23 HG21 ' A' ' 108' ' ' ILE . 5.6 mt -60.03 -43.62 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 34' ' ' THR . 28.0 mt -62.83 -36.75 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.99 -30.78 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -67.74 -44.31 77.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -87.14 -14.33 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 40.25 96.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -171.63 136.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.41 167.91 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.17 93.16 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -101.95 -56.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.69 112.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.23 -16.38 33.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.39 10.15 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 40.0 t80 -161.08 66.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 51' ' ' ILE . 44.8 mt -133.92 68.61 75.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.42 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -131.75 76.91 73.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.99 175.84 10.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.96 -20.71 61.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -71.85 -57.1 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.22 -54.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -51.21 -42.48 60.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.3 tp -70.73 -44.54 66.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.65 82.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.37 -39.19 78.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.14 -41.91 97.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -69.37 -52.32 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.99 -42.88 81.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.417 ' HG ' ' CD1' ' A' ' 61' ' ' LEU . 73.3 m -59.73 -43.89 94.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -68.21 -33.44 74.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CE1' HD23 ' A' ' 99' ' ' LEU . 2.1 t80 -66.85 -52.99 37.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -66.76 -55.56 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.76 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 8.7 tp -71.84 -45.48 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.778 HG21 HD22 ' A' ' 99' ' ' LEU . 17.8 pt -93.24 23.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.55 -46.81 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.72 -54.94 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -41.97 128.26 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.4 -28.83 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.75 -12.04 50.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.73 132.64 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.819 HG22 ' H ' ' A' ' 80' ' ' GLY . 24.9 mm -138.25 136.17 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.33 24.94 10.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.819 ' H ' HG22 ' A' ' 78' ' ' ILE . . . 90.77 96.84 1.21 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 82' ' ' THR . 67.6 t80 54.84 165.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 1.9 t -77.73 143.46 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.915 HG21 HD11 ' A' ' 86' ' ' ILE . 8.8 t -172.56 -160.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' N ' ' OG1' ' A' ' 83' ' ' THR . 0.8 OUTLIER -116.55 -178.63 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -50.1 117.96 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.915 HD11 HG21 ' A' ' 83' ' ' THR . 4.5 mt -106.03 -1.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . 37.38 60.66 1.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.37 177.97 9.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.91 110.35 22.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.512 ' O ' ' CG ' ' A' ' 91' ' ' TYR . 1.4 p -179.99 103.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.518 ' CG ' HD12 ' A' ' 71' ' ' ILE . 97.5 m-85 -162.62 124.35 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 m -97.0 129.82 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 99' ' ' LEU . 11.7 mt -84.16 160.0 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.0 -37.39 4.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -76.59 -61.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.25 44.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 m -115.48 146.88 41.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.4 p -85.92 66.32 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -40.85 119.03 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.54 169.71 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.13 156.36 20.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.02 41.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.31 66.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.832 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.63 -5.96 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.88 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.14 -42.26 72.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 37' ' ' ILE . 20.9 pt -84.7 -17.98 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -48.73 -31.61 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -44.05 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 73.3 m-85 -106.28 36.41 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t -100.42 138.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.1 ttpm? -39.16 99.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.58 67.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.5 144.93 43.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.838 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.619 ' O ' HD12 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -92.17 32.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.838 HD23 ' HG2' ' A' ' 117' ' ' PRO . 3.2 pp -83.99 -19.87 33.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 119' ' ' LEU . 6.4 tt0 -70.04 152.07 44.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 36.54 -124.14 0.88 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 118' ' ' ASP . 42.1 mt 56.29 159.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.417 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 7.5 mt-10 64.98 9.11 5.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.61 -57.25 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -56.07 -54.13 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.9 t -52.28 -50.81 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -31.9 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.7 ttp -87.8 -39.97 14.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.46 63.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.01 55.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.455 0.169 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.659 HD12 HG12 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -112.08 168.04 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.531 HD13 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -113.13 -33.42 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.659 HG12 HD12 ' A' ' 2' ' ' LEU . 1.5 pp -45.88 109.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 8' ' ' GLU . 1.7 t -59.16 149.66 66.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.96 -16.52 20.25 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 111.037 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -75.16 -29.74 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HB2' HG23 ' A' ' 5' ' ' THR . 1.9 tm-20 -74.15 -35.68 64.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -55.01 -50.5 68.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.96 -32.13 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -61.77 -29.12 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -94.37 -40.7 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.0 p -91.12 126.2 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.0 m -92.84 32.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 70' ' ' LEU . 2.4 m-85 -90.71 115.9 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 20' ' ' THR . 12.3 tt0 -58.15 -19.41 32.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -45.03 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -70.47 -33.17 52.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -41.68 76.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 16' ' ' GLU . 2.9 p -64.69 -26.91 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' NH1' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -65.7 137.67 96.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.02 152.78 41.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.67 -21.78 65.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.0 -31.23 64.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.8 mt -92.57 -48.25 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 9' ' ' LEU . 12.9 mt -44.08 -43.75 7.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 45.0 pttt -64.77 -52.26 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.8 mt-30 -55.06 -43.42 73.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -67.5 -32.2 72.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 61' ' ' LEU . 23.7 mt -68.66 -35.58 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.89 -32.37 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.5 -42.71 99.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.55 -28.84 66.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.558 ' OG1' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -63.46 -40.21 96.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.51 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -55.22 8.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.793 HG23 HG21 ' A' ' 108' ' ' ILE . 49.0 mt -58.76 -44.82 91.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 34' ' ' THR . 33.8 mt -59.64 -37.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.42 -26.22 63.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 4.6 mttt -73.02 -42.33 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 m -91.91 -0.21 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.21 43.02 9.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -170.49 147.3 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 109.587 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -115.87 -175.79 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -128.35 101.61 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 m -124.39 25.32 7.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -126.98 108.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.97 -21.59 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 24.97 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.2 t80 -178.78 64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -120.76 78.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.42 20.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 3' ' ' LEU . 4.1 tp -148.1 72.78 11.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -74.99 -179.96 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -32.52 69.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 57' ' ' VAL . 4.6 t -60.5 -54.48 44.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 56' ' ' THR . 69.2 t -61.71 -54.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.34 -42.88 22.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.85 -44.9 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -71.64 -40.74 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.15 -41.59 79.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.81 -49.49 52.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -58.19 -51.83 68.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -58.79 -53.06 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.03 -31.59 70.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 1.2 t80 -71.33 -45.5 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.63 -54.03 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.78 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.9 tp -75.38 -49.88 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.918 HD12 ' CG ' ' A' ' 91' ' ' TYR . 21.0 pt -92.53 30.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -121.87 -44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.62 -49.45 7.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -46.28 112.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -92.96 68.09 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.04 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 92' ' ' THR . 56.5 mt -56.52 131.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 79' ' ' LYS . 53.7 mt -61.54 166.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 78' ' ' ILE . 0.0 OUTLIER 76.55 141.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.73 -84.82 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.43 -162.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -95.61 19.54 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 p -83.87 168.04 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.3 mt-10 -89.69 147.25 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -39.03 124.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.5 mt -112.36 -4.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.62 -55.28 4.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -42.12 153.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 41.4 p90 -129.23 120.73 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.78 48.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.918 ' CG ' HD12 ' A' ' 71' ' ' ILE . 55.4 m-85 -89.69 130.49 35.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 77' ' ' ILE . 67.6 m -100.34 129.08 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 99' ' ' LEU . 35.0 mt -91.47 160.14 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.97 -15.98 23.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 12.55 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.93 28.89 73.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -100.67 141.8 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' GLN . 10.5 m -94.65 67.92 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -44.35 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.6 OUTLIER -90.3 172.25 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.91 145.27 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.36 73.72 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 64' ' ' LEU . 3.2 m -118.62 -0.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -59.9 -44.07 94.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.64 -25.71 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 104' ' ' VAL . 81.8 mt -68.76 -53.07 24.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.793 HG21 HG23 ' A' ' 37' ' ' ILE . 17.5 pt -73.97 -21.78 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -52.49 -21.71 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.85 -18.67 65.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 88.2 m-85 -138.81 38.63 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 t -95.63 132.72 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.2 tttt -39.11 99.52 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -74.99 -178.9 4.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -127.36 67.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -144.78 143.71 21.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.6 35.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.7 pp -81.28 -9.84 59.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 119' ' ' LEU . 2.1 tt0 -52.52 168.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.32 85.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.69 154.33 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 71.0 6.15 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.72 -57.26 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -48.74 78.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.09 -50.93 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -32.71 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -53.42 4.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -22.08 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.39 67.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HG3' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.489 0.185 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.744 HD12 HG23 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -81.7 159.58 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD21 ' CG2' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -115.2 -8.52 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.744 HG23 HD12 ' A' ' 2' ' ' LEU . 1.1 pt -56.87 146.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -93.44 162.67 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.86 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -32.56 72.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -31.33 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.913 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.09 -44.93 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -66.51 -29.97 70.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -61.49 -37.98 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -89.08 -35.63 16.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -90.41 119.26 30.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -96.01 29.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.8 m-85 -98.03 129.58 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -60.39 -36.27 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -58.3 -36.18 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 9' ' ' LEU . 55.4 t -74.35 -39.31 48.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -66.2 -55.03 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 16' ' ' GLU . 73.4 p -46.16 -43.72 15.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 25' ' ' LEU . 2.1 tpm_? -55.38 126.26 61.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.05 37.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.11 -40.59 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.75 -37.99 63.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 21' ' ' ARG . 36.6 mt -87.59 -50.4 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.913 HD22 ' CD2' ' A' ' 9' ' ' LEU . 10.4 mt -44.79 -39.37 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.84 -54.13 50.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -55.15 -33.21 62.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -76.25 -51.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG23 HD21 ' A' ' 61' ' ' LEU . 22.4 mt -56.16 -34.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.883 ' O ' HG22 ' A' ' 34' ' ' THR . 17.1 mt -76.72 -32.62 57.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mm-40 -67.89 -30.47 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.33 -49.92 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 31' ' ' LEU . 13.3 t -57.0 -25.24 58.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.79 -42.1 67.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.733 HD12 HD12 ' A' ' 61' ' ' LEU . 14.5 mt -60.97 -48.81 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.571 ' HA ' HG22 ' A' ' 41' ' ' VAL . 60.8 mt -61.94 -34.88 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 8.9 mttt -81.38 -45.25 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' HA ' ' A' ' 38' ' ' ILE . 35.0 m -78.85 -12.71 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.34 41.39 87.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 2.9 p80 -171.53 135.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -108.29 107.4 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 46' ' ' SER . 27.4 m-85 -37.59 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 45' ' ' PHE . 2.8 m 33.4 72.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -178.22 111.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.57 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.52 14.35 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 22.2 t80 -166.79 67.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 ' CG2' HD21 ' A' ' 3' ' ' LEU . 1.7 mt -121.11 75.64 30.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.04 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 2' ' ' LEU . 1.3 mp -134.43 69.37 73.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -20.7 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -71.8 -56.96 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.18 -54.57 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -46.19 -43.43 15.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.23 -44.59 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.78 79.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -71.07 -42.67 69.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 58' ' ' ARG . 15.3 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -73.14 -51.33 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -64.81 -34.81 79.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD22 ' A' ' 9' ' ' LEU . 9.0 t -56.87 -38.71 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -75.68 -41.03 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 99' ' ' LEU . 6.0 t80 -52.41 -53.74 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.51 -51.82 32.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.35 -26.68 31.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.6 -48.23 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.629 HG22 HD13 ' A' ' 77' ' ' ILE . 16.4 pt -92.37 29.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.33 -51.73 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.92 73.32 0.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -114.96 -8.99 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 43.36 65.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 t 176.04 -53.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.629 HD13 HG22 ' A' ' 71' ' ' ILE . 60.3 mt -53.32 135.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt -103.77 100.91 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 115.01 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 42.32 35.74 1.94 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 57.85 113.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 111.042 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 83' ' ' THR . 2.5 m 47.76 -162.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.617 ' H ' HG22 ' A' ' 82' ' ' THR . 2.3 m 50.91 177.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.445 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' H ' HG22 ' A' ' 83' ' ' THR . 0.4 OUTLIER -88.19 -169.79 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 112.16 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 86' ' ' ILE . 52.9 mt -95.09 4.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.69 70.66 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.95 176.45 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.31 46.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.8 m -130.98 57.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.436 ' CD2' HD12 ' A' ' 71' ' ' ILE . 17.3 m-30 -111.69 82.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -78.48 127.29 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.896 HD11 HD13 ' A' ' 99' ' ' LEU . 15.7 mt -86.52 158.87 19.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.92 -52.62 33.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -22.59 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.87 5.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -88.82 175.05 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 p -122.44 67.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.896 HD13 HD11 ' A' ' 93' ' ' LEU . 8.8 tp -42.6 112.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -115.22 10.73 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER 87.85 143.42 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.0 135.63 19.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -78.75 76.58 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 107' ' ' LEU . 13.7 m -93.4 17.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.7 t80 -63.03 -39.32 94.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.1 -28.65 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.586 HD12 ' HB ' ' A' ' 104' ' ' VAL . 73.0 mt -70.92 -44.88 65.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.956 ' O ' HG23 ' A' ' 112' ' ' VAL . 26.2 pt -84.64 -9.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -60.21 -15.82 27.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -29.21 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 72.9 m-85 -127.04 40.12 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.3 t -98.69 143.23 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -39.53 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 -178.67 4.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -115.64 66.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -133.64 139.89 35.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.91 31.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.6 pp -72.93 -9.85 59.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.425 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.72 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -69.24 80.86 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 34.7 mm -108.96 148.38 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 70.15 6.54 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.96 -53.39 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -16.5 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.67 -47.88 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -27.41 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 129' ' ' ARG . 10.1 ptp -88.71 -37.22 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 128' ' ' MET . 1.1 mpt_? -74.99 -28.16 60.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -23.88 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.454 0.169 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.683 HD12 HG12 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -41.07 147.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' HB2' HD22 ' A' ' 53' ' ' LEU . 2.1 mp -120.6 68.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.683 HG12 HD12 ' A' ' 2' ' ' LEU . 1.1 pp -141.53 107.17 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -62.13 161.25 25.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.17 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.99 -34.27 77.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -32.23 60.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 26' ' ' LEU . 3.6 tp -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' SER . 8.1 ptmt -66.6 -32.68 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.1 t -52.16 -42.24 63.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -91.92 -45.51 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -79.19 122.51 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.43 39.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.7 m-30 -102.64 118.35 36.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -51.41 -36.31 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -60.83 -43.21 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD21 ' A' ' 9' ' ' LEU . 93.3 t -73.43 -36.66 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -54.56 21.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' GLU . 21.6 p -51.18 -55.06 19.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.706 HH12 HD13 ' A' ' 25' ' ' LEU . 10.5 mtt-85 -40.1 137.81 1.18 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.11 -42.9 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.83 -34.34 62.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 HH12 ' A' ' 21' ' ' ARG . 24.4 mt -86.17 -50.83 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 9' ' ' LEU . 14.5 mt -43.38 -34.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -64.34 -52.72 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -58.22 -33.83 69.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -76.34 -40.17 52.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mt -61.57 -48.39 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.73 -31.5 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -56.85 -40.9 76.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -72.66 -44.24 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.65 HG23 HD23 ' A' ' 2' ' ' LEU . 6.2 m -44.43 -43.83 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.27 76.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.44 -51.93 67.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.8 mt -57.25 -51.65 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 59.8 mt -54.93 -35.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.9 -28.36 64.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 6.3 mttp -73.72 -46.47 45.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' VAL . 7.8 m -75.69 -34.64 29.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.98 35.22 19.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' ILE . 8.1 p-80 -171.98 150.0 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -111.45 156.77 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -95.6 74.49 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -53.36 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -52.42 110.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -15.18 59.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.04 13.65 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 16.7 t80 -164.99 67.43 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 51' ' ' ILE . 5.8 mt -126.65 73.3 74.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.27 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD22 ' HB2' ' A' ' 3' ' ' LEU . 2.4 tp -139.91 76.1 28.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -74.96 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -24.96 59.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 p -67.64 -54.14 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.21 -54.99 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -39.89 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.07 -38.62 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.21 99.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.9 mt -62.73 -39.67 94.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -72.71 -52.3 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.11 -44.73 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.5 t -57.42 -51.21 70.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.56 -42.48 91.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 99' ' ' LEU . 8.6 t80 -55.9 -51.24 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -51.47 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.41 -27.77 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 tp -69.47 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.436 ' HA ' ' CD1' ' A' ' 77' ' ' ILE . 27.4 pt -48.47 -34.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.49 -58.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.07 89.77 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -96.34 -44.39 7.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.94 -66.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.25 67.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.557 ' C ' HD12 ' A' ' 78' ' ' ILE . 33.4 mt -106.61 131.49 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.557 HD12 ' C ' ' A' ' 77' ' ' ILE . 4.2 mp -145.15 112.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -176.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.66 -68.22 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.17 -171.63 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 82' ' ' THR . 84.1 m -89.02 19.04 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -73.17 168.11 19.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -171.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -57.84 122.26 12.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 86' ' ' ILE . 48.4 mt -103.09 1.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 36.76 72.91 0.14 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.84 169.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.731 ' CE2' ' NE2' ' A' ' 100' ' ' GLN . 8.7 m-30 -38.79 112.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.53 -148.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.409 ' CG ' HD12 ' A' ' 71' ' ' ILE . 60.0 m-85 47.71 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 77' ' ' ILE . 39.7 m -71.57 123.03 21.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD11 HD13 ' A' ' 99' ' ' LEU . 2.1 mt -71.2 159.75 34.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.31 -42.3 49.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.6 -12.71 48.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.01 16.49 55.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.7 t -91.13 161.46 15.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 p -102.14 96.17 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 93' ' ' LEU . 11.6 tp -67.09 125.4 25.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.731 ' NE2' ' CE2' ' A' ' 89' ' ' TYR . 24.7 mt-30 -112.2 -179.43 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 137.04 87.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.08 150.11 37.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.79 69.67 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -108.45 -15.25 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 109' ' ' LYS . 29.7 t80 -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.97 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -78.8 -17.54 55.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 pt -121.61 7.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.51 -23.43 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -83.91 -38.17 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 9.0 m-85 -98.26 36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -78.43 155.94 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 41' ' ' VAL . 8.7 tmtt? -44.95 111.3 1.24 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.57 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 116' ' ' ASP . . . -97.96 79.26 2.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 115' ' ' ALA . 0.5 OUTLIER 38.01 91.05 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.69 45.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 120' ' ' GLU . 1.4 pp -80.8 -17.65 50.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.734 ' N ' HD12 ' A' ' 119' ' ' LEU . 3.4 tp10 -38.39 152.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 120' ' ' GLU . . . -52.29 93.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 52.9 mt -119.42 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 1.1 mt-10 70.38 6.7 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.41 -57.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -56.97 -53.88 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.09 -58.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -32.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 131' ' ' ILE . 22.8 mmt -88.95 -57.12 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -49.27 -24.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.8 m -117.18 58.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 131' ' ' ILE . 8.7 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.492 0.187 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -78.82 167.57 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.581 HD11 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -131.85 31.06 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.2 137.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -86.92 159.09 52.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -74.99 -32.39 5.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 5' ' ' THR . 4.4 t70 -53.27 -29.5 33.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -40.55 48.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD13 ' OG ' ' A' ' 65' ' ' SER . 3.0 tp -53.17 -50.27 64.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.84 -30.55 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 6.2 t -65.22 -31.25 72.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -97.02 -42.16 8.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -73.99 125.47 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.06 31.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 70' ' ' LEU . 9.6 m-85 -106.42 115.86 30.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tp10 -52.36 -30.65 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -61.69 -38.96 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 69' ' ' ALA . 75.6 t -73.35 -44.11 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -59.05 -51.08 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 16' ' ' GLU . 5.8 p -52.66 -49.6 64.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HD2' ' CA ' ' A' ' 73' ' ' GLY . 4.8 ttt-85 -46.98 142.48 5.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.5 Cg_endo -74.96 157.6 42.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.13 -32.74 73.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.5 -34.46 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.5 mt -86.41 -44.95 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.9 mt -49.79 -50.6 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -44.68 94.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -54.95 -40.04 69.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -72.33 -44.02 63.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -39.1 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 mt -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -29.87 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -70.01 -36.24 74.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -67.67 -27.41 66.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.69 76.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -76.64 -38.68 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 61' ' ' LEU . 6.2 mt -66.73 -50.45 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.557 HG23 ' C ' ' A' ' 43' ' ' HIS . 70.5 mt -59.33 -35.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.75 -25.74 67.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.618 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -78.8 -46.84 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 111' ' ' TYR . 27.2 m -86.94 5.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.52 41.13 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' C ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -171.46 142.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' HG21 ' A' ' 38' ' ' ILE . 50.1 p30 -119.01 175.49 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.7 89.67 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.73 39.72 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.3 m-20 -143.51 112.43 6.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -52.7 -23.3 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.1 25.53 4.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . 81.4 t80 -174.52 57.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 51' ' ' ILE . 43.2 mt -132.24 71.85 79.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.65 41.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 3' ' ' LEU . 2.4 tp -137.62 79.02 35.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -82.8 -20.3 36.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.08 -56.79 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 111' ' ' TYR . 46.2 t -58.42 -55.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -47.89 -46.11 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.91 -44.57 65.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.16 76.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.98 -41.12 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.16 -42.51 98.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -67.07 -47.13 72.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -62.78 -49.44 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.594 ' OG ' HD13 ' A' ' 9' ' ' LEU . 84.0 p -57.35 -34.97 69.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.32 -40.71 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.63 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.9 t80 -59.3 -55.05 39.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 11.2 m-85 -66.53 -51.24 58.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.53 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.07 -27.5 20.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 15' ' ' PHE . 6.2 tp -76.38 -48.0 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.684 HD12 ' CG ' ' A' ' 91' ' ' TYR . 28.2 pt -93.77 28.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 26.3 m-20 -128.27 -58.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' CA ' ' HD2' ' A' ' 21' ' ' ARG . . . -62.18 -21.57 61.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 77' ' ' ILE . 0.4 OUTLIER -76.3 127.42 32.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.72 -5.38 42.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -93.05 -20.71 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' CG1' ' HB3' ' A' ' 74' ' ' ASP . 6.1 mm -64.03 148.85 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.17 123.56 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.43 19.63 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.82 -94.53 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' THR . 5.2 t80 -140.85 -74.22 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 0.748 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 82' ' ' THR . 22.5 m -141.32 16.86 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.0 p -67.53 169.62 8.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.24 -171.79 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 129.87 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.5 mt -129.76 -143.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.513 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -147.26 36.23 1.21 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.05 -175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -103.18 24.45 10.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 91' ' ' TYR . 44.6 m -113.34 102.96 10.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.684 ' CG ' HD12 ' A' ' 71' ' ' ILE . 62.9 m-85 -159.23 84.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 142.79 52.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.18 152.84 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.91 -35.17 0.9 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 40.63 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.6 m -119.0 143.46 47.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 76.91 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.3 tp -47.06 110.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -99.71 175.42 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 154.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -112.93 48.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 107' ' ' LEU . 7.0 m -95.26 16.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.34 -44.61 67.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.86 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 104' ' ' VAL . 75.4 mt -65.81 -45.55 81.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 40' ' ' LYS . 11.2 pt -79.53 -29.43 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ttpt -50.78 -22.61 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -44.8 76.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 25.6 p90 -128.49 52.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.464 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.3 t -87.55 123.39 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -39.47 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.1 Cg_endo -75.04 169.46 22.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.73 80.51 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -110.01 142.88 26.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.668 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.1 Cg_endo -75.05 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 27.29 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.668 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.7 pp -72.61 -21.42 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 119' ' ' LEU . 7.1 pt-20 -46.44 172.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.49 91.82 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.472 HD11 ' HG2' ' A' ' 120' ' ' GLU . 36.6 mt -132.14 145.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.08 5.64 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.99 -49.96 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -46.98 71.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.19 -55.28 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.55 -31.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.5 mmt -89.28 -60.04 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -27.02 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.64 80.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' H2 ' HD22 ' A' ' 31' ' ' LEU . 2.2 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.521 0.2 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER 58.16 -95.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 172.16 37.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.639 HG23 ' CD1' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -141.4 152.72 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.531 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -100.04 150.99 37.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -21.31 15.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -30.26 68.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' H ' HG23 ' A' ' 5' ' ' THR . 34.0 mt-10 -75.47 -36.29 60.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 26' ' ' LEU . 4.2 tp -52.53 -50.76 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 19' ' ' LYS . 12.7 pttt -68.35 -36.77 79.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -58.94 -38.99 80.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -83.15 -41.03 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -74.42 149.86 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 m -104.88 -20.62 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.4 m-85 -59.83 127.84 33.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 20' ' ' THR . 3.3 tt0 -65.18 -26.83 68.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 m -61.83 -50.33 72.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' HD21 ' A' ' 26' ' ' LEU . 90.9 t -62.97 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 10' ' ' LYS . 4.3 mttm -66.43 -54.61 22.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 16' ' ' GLU . 24.1 p -52.57 -51.37 60.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' CG ' ' HD2' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -39.39 146.29 0.36 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.01 155.7 42.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -32.3 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.12 -28.09 69.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.9 mt -91.7 -40.06 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 9' ' ' LEU . 51.5 mt -49.91 -51.09 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.42 90.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.13 -38.71 68.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -77.23 -33.36 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 61' ' ' LEU . 8.3 mt -70.5 -51.43 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD22 ' H2 ' ' A' ' 1' ' ' MET . 11.7 mt -55.29 -32.35 62.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.85 -29.53 55.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.96 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -62.81 -31.72 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.62 84.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -50.74 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.587 HG23 HG21 ' A' ' 108' ' ' ILE . 15.5 mt -57.63 -38.33 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' A' ' 41' ' ' VAL . 50.3 mt -70.43 -35.1 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -23.11 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -80.94 -46.95 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 38' ' ' ILE . 27.5 m -75.76 -26.06 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.1 40.61 50.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -176.78 137.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -98.22 -174.46 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -124.83 80.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -90.37 -57.37 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.57 113.79 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.809 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -64.26 -14.38 55.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 10.2 tt0 -91.43 16.8 9.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 38.3 t80 -167.26 63.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 48' ' ' ALA . 45.3 mt -132.11 68.41 80.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 3' ' ' LEU . 4.2 tp -127.94 85.34 60.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -75.0 -171.62 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.54 -20.19 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' VAL . 12.3 p -73.24 -56.98 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 54.6 t -56.18 -52.68 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.8 mtp85 -52.26 -46.81 65.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 63' ' ' LYS . 2.4 tp -65.08 -50.77 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -55.85 -41.97 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.05 -47.06 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 58' ' ' ARG . 6.0 mt -62.4 -37.86 87.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HD2' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.0 -52.92 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 m -58.87 -37.49 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -70.65 -45.4 65.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.8 t80 -58.36 -52.19 66.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.88 -53.83 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.06 42.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.3 tp -69.3 -67.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.642 ' CG2' HD22 ' A' ' 99' ' ' LEU . 3.5 pt -58.5 -44.38 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.43 -38.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.8 73.8 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.35 -153.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.18 58.82 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.12 77.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 92' ' ' THR . 28.6 mt -104.29 148.86 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.25 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -171.69 -157.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 81' ' ' TYR . . . -107.54 -150.03 15.81 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 80' ' ' GLY . 1.1 p90 -170.53 -48.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 82' ' ' THR . 19.4 m -146.05 17.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 84' ' ' GLU . 12.1 t -174.85 -152.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 83' ' ' THR . 0.8 OUTLIER 57.77 158.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -45.01 134.32 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.4 mt -92.52 -140.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -37.67 94.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -167.49 179.66 4.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 57.7 m-85 -69.72 61.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.31 24.39 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.17 45.66 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 77' ' ' ILE . 77.9 m -41.89 148.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 99' ' ' LEU . 13.4 mt -103.39 172.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.65 96.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -51.53 20.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 44.48 0.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.0 m -116.42 149.02 40.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.6 p -91.16 71.59 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.748 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -52.49 116.61 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.59 ' OE1' ' CD1' ' A' ' 89' ' ' TYR . 5.8 tp60 -100.9 160.64 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -44.16 160.63 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.62 36.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 85.24 7.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.469 HG21 ' HB1' ' A' ' 60' ' ' ALA . 1.2 m -130.27 16.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -41.15 87.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.63 63.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.16 -40.66 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.587 HG21 HG23 ' A' ' 37' ' ' ILE . 11.9 pt -86.76 -16.54 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -53.28 -21.04 4.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -25.47 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 82.0 m-85 -133.19 46.91 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.2 t -103.48 142.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.9 100.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.99 4.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.0 76.6 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -145.69 130.12 8.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -90.28 40.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.617 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.4 pp -83.66 -11.88 56.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.612 ' N ' HD12 ' A' ' 119' ' ' LEU . 11.1 tt0 -73.26 161.56 30.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.28 42.17 88.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 87.8 mt -143.29 156.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.55 8.19 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.64 -48.85 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -52.97 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.8 t -48.79 -49.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -29.75 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.02 -47.9 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -16.33 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.2 m -95.88 -38.09 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.626 ' H2 ' ' CD2' ' A' ' 31' ' ' LEU . 20.1 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.474 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.819 ' O ' HD12 ' A' ' 3' ' ' LEU . 1.9 tt 64.69 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER 166.41 -49.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.53 169.94 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -123.07 167.1 15.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.05 -33.23 4.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -50.88 -49.35 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 5' ' ' THR . 49.4 mt-10 -62.49 -38.0 88.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.994 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.85 -50.9 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 pttt -69.16 -31.09 69.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.19 -37.06 83.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 4.0 t80 -89.17 -44.4 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -74.87 146.2 42.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 26.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.622 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -92.64 137.64 32.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' THR . 2.4 tt0 -66.72 -37.48 84.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -50.96 70.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 HD11 ' A' ' 9' ' ' LEU . 91.4 t -62.58 -39.83 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -55.01 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' GLU . 30.1 p -53.87 -48.11 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 144.17 5.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.97 28.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.49 -35.57 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.06 -27.74 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.9 mt -89.9 -43.99 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 HD21 ' A' ' 9' ' ' LEU . 21.2 mt -55.04 -47.01 75.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -59.04 -44.26 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -55.82 -36.62 67.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -48.64 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -53.41 -36.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 34' ' ' THR . 5.1 mt -70.36 -36.79 74.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.12 -25.01 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -72.52 -45.29 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.8 t -60.03 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.55 99.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.26 -49.89 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.69 HG23 HG21 ' A' ' 108' ' ' ILE . 14.1 mt -59.63 -42.48 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.733 HD13 ' CG ' ' A' ' 44' ' ' ASP . 44.5 mt -62.47 -35.31 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -24.09 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 2.8 mttp -75.09 -46.6 33.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 43' ' ' HIS . 28.0 m -81.75 -34.14 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.97 25.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.577 ' H ' HG23 ' A' ' 41' ' ' VAL . 91.5 m-70 -147.71 135.46 21.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.562 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.733 ' CG ' HD13 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -97.86 15.85 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 39.6 79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -100.84 -40.32 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 118.12 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -62.39 -15.06 46.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -94.8 15.88 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 29.0 t80 -164.57 61.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 51' ' ' ILE . 34.7 mt -134.61 66.37 69.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.33 31.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 3' ' ' LEU . 4.0 tp -139.08 73.38 38.43 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -40.11 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 t -55.25 -43.07 74.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.24 -52.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -51.99 -37.5 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.46 -47.04 52.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.13 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -70.05 -41.89 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.99 -45.25 83.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.22 -47.71 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -43.74 96.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.532 ' OG ' HD22 ' A' ' 9' ' ' LEU . 46.8 t -57.7 -44.64 86.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -71.39 -38.12 71.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.56 -49.14 76.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -72.89 -52.73 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.69 -26.82 15.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.6 tp -70.64 -42.18 71.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.668 HG22 HD13 ' A' ' 77' ' ' ILE . 1.9 pt -97.96 22.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -16.02 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.38 90.41 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -153.81 128.16 9.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.9 62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.828 HG23 ' O ' ' A' ' 91' ' ' TYR . 20.0 mt -45.68 122.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.29 122.91 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -83.76 150.87 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 81' ' ' TYR . . . -95.81 -146.76 21.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 80' ' ' GLY . 52.5 p90 40.24 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.75 130.91 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 84' ' ' GLU . 14.5 t -171.27 -151.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -98.65 -171.93 2.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -75.85 123.33 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.6 mt -140.19 -142.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.505 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -164.05 47.19 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.756 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 24.1 p90 -108.54 115.03 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 2.1 m 169.11 56.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.828 ' O ' HG23 ' A' ' 77' ' ' ILE . 15.9 m-85 -116.24 -1.57 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.528 ' O ' HD23 ' A' ' 93' ' ' LEU . 21.8 m 57.21 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 99' ' ' LEU . 37.6 mt -131.29 175.49 9.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.05 -38.42 55.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.45 11.51 16.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.24 32.9 85.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m -98.53 140.0 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.0 93.26 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.613 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.2 tp -56.75 106.06 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -91.69 154.17 19.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NZ ' ' A' ' 40' ' ' LYS . 6.4 mttt -40.84 150.24 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 154.01 41.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -78.06 68.31 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.41 -11.69 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -51.61 -33.29 32.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -29.64 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.28 -49.46 49.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.8 pt -72.97 -14.43 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -31.27 64.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -13.8 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 74.3 m-85 -140.88 41.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.8 t -106.3 138.46 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -42.25 104.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.69 72.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.49 141.33 33.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.673 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.01 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.28 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.673 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.9 pp -70.13 -20.93 63.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.2 tm-20 -106.53 152.48 23.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 88.0 -41.31 3.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.1 mt -112.7 150.16 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.51 1.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.84 -56.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -36.72 80.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.96 -50.77 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -38.71 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.38 -62.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -24.37 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.7 m -119.66 65.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' HD11 ' A' ' 31' ' ' LEU . 3.7 ttt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.428 0.156 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.591 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.91 -69.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.68 ' CB ' HD22 ' A' ' 53' ' ' LEU . 15.3 mt -158.73 -40.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp -82.59 108.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 p -47.47 160.06 0.39 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.05 -28.9 8.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -35.06 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.94 -33.75 74.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.024 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.17 -51.03 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.3 pttm -70.29 -30.69 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.9 t -64.1 -27.07 68.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.483 ' OH ' ' CD1' ' A' ' 59' ' ' LEU . 5.7 t80 -98.92 -43.21 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 p -79.65 132.01 36.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.2 m -95.8 41.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.607 ' HE2' HD13 ' A' ' 70' ' ' LEU . 4.7 m-85 -111.01 126.6 54.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.938 ' O ' HG23 ' A' ' 20' ' ' THR . 3.9 tp10 -67.98 -35.72 78.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -59.92 -37.33 79.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.39 -33.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -69.81 -54.14 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 16' ' ' GLU . 60.1 p -48.03 -46.92 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.09 150.19 1.47 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.62 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.94 -26.69 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.63 -28.93 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.1 mt -88.55 -46.56 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.024 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.5 mt -48.71 -50.81 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 25.4 pttt -57.57 -41.93 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 33.0 mt-30 -60.49 -44.39 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.07 -45.31 81.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' A' ' 6' ' ' PRO . 70.8 mt -50.15 -31.48 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.856 ' O ' HG22 ' A' ' 34' ' ' THR . 12.4 mt -78.0 -35.46 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.856 HG22 ' O ' ' A' ' 31' ' ' LEU . 6.7 t -61.4 -24.07 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.65 89.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.48 -49.92 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.988 HD12 HD12 ' A' ' 61' ' ' LEU . 4.2 mt -58.36 -34.97 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 43' ' ' HIS . 40.2 mt -72.2 -38.52 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -31.35 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -65.64 -47.08 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.42 -23.94 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.38 39.35 36.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG23 ' A' ' 38' ' ' ILE . 6.2 p80 -171.17 145.52 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.24 162.96 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -99.55 72.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -62.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.0 110.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -63.32 -16.27 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.69 11.76 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.4 t80 -162.99 67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 48' ' ' ALA . 62.6 mt -134.06 64.15 64.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 147.17 33.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.786 ' CD2' HG23 ' A' ' 4' ' ' ILE . 2.3 tp -123.98 82.52 55.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.17 27.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.57 -38.26 90.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -55.59 -54.38 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 108' ' ' ILE . 54.4 t -63.24 -52.88 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 4' ' ' ILE . 3.5 ttp180 -47.46 -47.73 27.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' ' OH ' ' A' ' 12' ' ' TYR . 6.4 tp -61.6 -45.43 94.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.77 -41.4 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.988 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -67.14 -43.23 82.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -63.51 -42.25 98.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -67.12 -50.78 60.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -61.93 -43.67 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.1 t -56.96 -43.16 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' OE1' ' CD1' ' A' ' 15' ' ' PHE . 4.2 tt0 -70.08 -46.16 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.64 -50.8 64.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.7 m-85 -70.74 -52.94 17.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.29 -26.92 31.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' A' ' 15' ' ' PHE . 8.6 tp -71.09 -69.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.822 HD12 ' CG ' ' A' ' 91' ' ' TYR . 24.8 pt -60.42 -16.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' TYR . 19.3 m-20 -62.16 -28.67 69.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.81 77.36 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 13.9 t0 -97.11 -81.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -157.68 70.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.07 69.91 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.488 HG22 ' HE2' ' A' ' 79' ' ' LYS . 14.4 mt -89.58 140.6 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 tt -109.37 149.26 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' HE2' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -125.88 25.16 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . 73.67 125.23 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 4.7 p90 40.84 -168.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.49 132.37 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.561 HG21 HD11 ' A' ' 86' ' ' ILE . 11.6 t -175.0 -154.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' N ' ' OG1' ' A' ' 83' ' ' THR . 13.4 mt-10 -128.4 159.8 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.99 110.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.561 HD11 HG21 ' A' ' 83' ' ' THR . 6.3 mt -98.75 -6.88 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.58 -57.95 0.69 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' TYR . 49.7 m-20 -46.23 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 98' ' ' SER . 16.6 t80 -35.65 124.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.1 -148.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.822 ' CG ' HD12 ' A' ' 71' ' ' ILE . 26.4 m-85 41.74 70.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 m -68.23 123.59 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.7 mt -76.8 158.55 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -19.43 61.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.57 4.35 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.44 28.92 68.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 m -103.9 146.55 28.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.486 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 8.5 m -95.5 74.02 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.0 tp -55.77 107.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.78 156.1 17.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 9.8 mttt -43.97 143.35 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.01 144.79 30.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.56 72.59 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' CD1' ' A' ' 64' ' ' LEU . 33.5 m -96.15 13.2 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' LYS . 14.6 t80 -70.12 -33.3 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.59 -25.68 65.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -44.25 48.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.829 HG21 ' CG2' ' A' ' 37' ' ' ILE . 1.3 pt -93.7 7.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 105' ' ' TYR . 11.4 tttp -64.39 -19.9 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.14 -46.02 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -77.99 -32.77 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 108' ' ' ILE . 6.8 t -41.72 133.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -38.56 99.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.341 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.98 -178.9 4.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.86 70.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -129.17 145.17 55.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.6 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.04 31.82 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 120' ' ' GLU . 2.7 pp -75.45 -25.78 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.667 ' O ' HD12 ' A' ' 119' ' ' LEU . 20.7 tt0 58.79 153.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.406 ' N ' ' CG ' ' A' ' 120' ' ' GLU . . . -55.83 86.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' GLU . 76.1 mt -128.38 152.45 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 65.56 9.25 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.57 -42.32 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -51.47 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.23 -54.41 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -42.26 -32.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 130' ' ' SER . 0.3 OUTLIER -86.74 -61.98 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -25.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 128' ' ' MET . 0.6 OUTLIER -139.29 80.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HA ' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.469 0.176 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.711 HD23 ' OG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -126.14 134.98 51.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -89.09 86.57 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.453 ' CG1' HG21 ' A' ' 30' ' ' ILE . 1.1 pt -152.17 157.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 8' ' ' GLU . 8.9 t -100.02 146.26 31.61 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.95 -10.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.59 -30.91 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.504 ' H ' HG23 ' A' ' 5' ' ' THR . 4.3 mm-40 -77.27 -35.66 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.98 -50.89 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -66.93 -30.98 71.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.3 t -64.08 -31.43 72.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -96.01 -25.34 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -92.16 141.08 28.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.3 24.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 70' ' ' LEU . 1.1 m-85 -99.22 125.48 44.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' THR . 2.8 tt0 -59.5 -33.76 71.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.67 -42.54 97.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.09 -36.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -53.87 30.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 16' ' ' GLU . 16.3 p -55.78 -49.12 74.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 72' ' ' ASN . 1.1 ttt85 -40.58 135.97 1.49 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 167.37 27.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.77 -36.04 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.1 -34.77 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD12 ' CG ' ' A' ' 22' ' ' PRO . 41.9 mt -86.1 -44.96 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 9' ' ' LEU . 21.5 mt -54.51 -41.41 69.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -56.87 -57.24 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -54.94 -37.15 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 22.3 t70 -66.63 -42.04 87.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 27' ' ' LYS . 14.9 mt -59.27 -37.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 mt -71.82 -40.33 69.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -61.26 -28.62 69.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.07 61.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.711 ' OG1' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -68.36 -24.92 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.28 88.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.71 -44.86 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.747 HG23 HG21 ' A' ' 108' ' ' ILE . 36.9 mt -58.88 -42.4 85.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' HIS . 86.4 mt -64.58 -40.07 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.44 -25.08 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' CB ' HD11 ' A' ' 108' ' ' ILE . 8.9 mtpt -76.79 -45.62 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' ILE . 14.0 m -89.77 8.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.64 43.81 1.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' ILE . 3.4 p80 -170.42 144.38 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.641 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.74 156.18 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.7 84.74 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 -56.49 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.68 107.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.85 -19.31 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 12.35 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 48.9 t80 -163.81 67.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 51' ' ' ILE . 7.3 mt -123.76 76.59 56.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -142.94 76.22 17.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.02 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -19.52 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 ' HA ' HD22 ' A' ' 107' ' ' LEU . 10.9 p -73.98 -46.82 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 54' ' ' PRO . 88.4 t -66.01 -55.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -51.31 -43.76 61.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 tp -73.2 -38.04 66.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.97 -43.76 97.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -74.25 -37.95 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.56 -37.89 87.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -73.57 -52.63 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.67 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.02 -50.26 74.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 80.6 p -56.43 -40.32 74.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -67.29 -30.75 70.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.62 ' CE1' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.44 -47.63 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -26.65 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -64.91 -53.91 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' A' ' 77' ' ' ILE . 3.5 pt -75.28 -42.61 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -45.64 -62.81 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.73 -53.15 34.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 126.82 10.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.25 -9.15 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.03 48.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.3 mt -149.45 132.39 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 9.4 mm -55.57 164.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 0.0 OUTLIER 73.33 123.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.43 88.08 0.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 82' ' ' THR . 9.6 p90 -153.78 134.62 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 81' ' ' TYR . 14.7 t 40.26 -160.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 84' ' ' GLU . 11.3 t -64.23 -139.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.625 ' N ' HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER 59.32 159.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -41.25 123.24 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 86' ' ' ILE . 66.6 mt -98.56 4.5 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.15 2.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -60.26 167.36 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -78.14 52.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -144.15 97.99 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.547 ' CZ ' ' O ' ' A' ' 88' ' ' ASP . 14.7 m-85 -132.12 78.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 77' ' ' ILE . 91.2 m -101.81 136.06 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.939 HD11 HD23 ' A' ' 99' ' ' LEU . 9.8 mt -92.34 150.67 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.73 -18.87 11.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.74 7.29 21.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.94 1.7 85.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.5 m -81.08 149.08 29.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.026 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' LEU . 1.5 m -99.8 30.5 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.939 HD23 HD11 ' A' ' 93' ' ' LEU . 0.2 OUTLIER 47.5 -175.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -125.23 -172.7 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 133.17 9.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.99 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.44 77.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 64' ' ' LEU . 15.1 m -91.38 21.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' LYS . 1.9 t80 -70.62 -42.79 70.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.22 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 56' ' ' THR . 84.2 mt -70.91 -47.82 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.747 HG21 HG23 ' A' ' 37' ' ' ILE . 4.9 pt -89.52 -0.35 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -61.52 -31.86 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.63 -7.59 54.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -134.01 23.42 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 113' ' ' LYS . 1.4 t -72.05 152.15 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.4 tmtt? -39.18 99.73 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.05 -179.62 5.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.21 72.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -140.25 143.02 31.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.533 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.96 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' O ' HD11 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -92.48 31.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.7 pp -78.05 -20.34 52.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 119' ' ' LEU . 56.0 tt0 -88.2 155.81 19.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 120' ' ' GLU . . . 63.26 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 118' ' ' ASP . 80.7 mt -139.51 150.46 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 67.85 8.35 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.15 -33.69 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.35 -18.48 45.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.25 -55.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -20.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.504 ' O ' HG22 ' A' ' 131' ' ' ILE . 1.7 ttp -87.23 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -39.17 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.57 50.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 128' ' ' MET . 5.6 tt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.887 ' N ' HD11 ' A' ' 31' ' ' LEU . 8.7 ptm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.472 0.177 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.78 -49.71 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.841 ' HB3' HD22 ' A' ' 53' ' ' LEU . 1.3 tp 173.44 -34.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.795 HG23 HD23 ' A' ' 53' ' ' LEU . 1.6 pt -85.06 171.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -111.79 150.02 41.66 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.97 -20.02 17.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -68.47 -30.78 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' H ' HG23 ' A' ' 5' ' ' THR . 13.7 mm-40 -77.04 -35.51 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.673 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.96 -48.9 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -32.59 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.04 -41.9 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.2 t -81.13 126.0 30.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 14' ' ' VAL . 17.4 m -97.72 42.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.612 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -115.66 126.66 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.78 -16.2 62.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 20' ' ' THR . 66.7 m -70.39 -41.25 73.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 69' ' ' ALA . 59.1 t -75.33 -33.21 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -55.32 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 17' ' ' SER . 10.9 t -51.99 -21.31 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -73.67 141.58 79.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.68 -25.54 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -70.12 -29.8 66.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 25' ' ' LEU . 27.7 mt -92.17 -46.72 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 HD21 ' A' ' 9' ' ' LEU . 13.3 mt -43.26 -44.78 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -63.99 -53.47 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.14 -41.46 68.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.26 -31.27 71.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.669 HG23 HD23 ' A' ' 61' ' ' LEU . 22.6 mt -69.73 -50.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.887 HD11 ' N ' ' A' ' 1' ' ' MET . 6.2 mt -62.39 -33.05 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -33.07 71.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -77.23 -33.94 56.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -41.45 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.79 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.89 -55.39 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.01 HD12 HD12 ' A' ' 61' ' ' LEU . 5.5 mt -57.92 -43.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.53 -35.39 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.54 -41.68 62.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 47.9 mttm -58.04 -44.87 87.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' HB ' ' NE2' ' A' ' 43' ' ' HIS . 26.7 m -75.0 -21.79 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 41.14 73.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 33.2 p80 -176.04 136.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.63 165.22 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' SER . 39.5 m-85 -98.75 -65.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' PHE . 27.0 m 36.45 64.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.517 ' H ' HD11 ' A' ' 51' ' ' ILE . 3.1 m-20 -168.31 114.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.52 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -107.54 19.64 19.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 27.3 t80 -167.6 54.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.2 mt -132.65 66.18 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.51 12.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.841 HD22 ' HB3' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -122.59 77.14 46.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.06 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.4 p -52.45 -57.7 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.367 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 -55.52 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -47.41 -44.89 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.3 -42.78 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.96 -42.61 99.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.01 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -70.55 -39.05 74.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.68 -45.06 93.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -68.42 -48.52 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -58.92 -47.54 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 m -56.78 -37.82 71.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -76.93 -35.73 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' HE1' HD23 ' A' ' 99' ' ' LEU . 7.3 t80 -63.18 -45.84 89.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -54.0 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.73 -26.86 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.09 -51.06 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.878 HG21 HD22 ' A' ' 99' ' ' LEU . 14.0 pt -91.93 30.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -123.91 -46.48 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.6 36.37 4.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 76' ' ' SER . 10.4 t70 -102.49 161.8 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -40.16 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.6 m -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 79' ' ' LYS . 24.5 mt -87.34 140.85 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt -109.72 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HG3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -147.7 22.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.17 -95.85 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -43.79 -61.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.501 ' CG2' ' HA ' ' A' ' 79' ' ' LYS . 63.3 p 41.33 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.552 HG22 ' H ' ' A' ' 84' ' ' GLU . 3.0 m -109.57 -149.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 83' ' ' THR . 0.5 OUTLIER -81.81 6.32 15.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.23 114.86 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 86' ' ' ILE . 31.3 mm -99.25 1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.61 42.94 1.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -96.91 -179.3 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.6 42.37 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 m -113.81 61.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.814 ' CG ' HD12 ' A' ' 71' ' ' ILE . 22.9 m-85 -120.9 39.53 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -47.9 132.05 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 99' ' ' LEU . 9.7 mt -92.64 147.54 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.68 -31.32 0.4 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -48.55 18.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 93' ' ' LEU . . . 128.3 42.01 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 m -115.37 137.74 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 p -83.8 61.83 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.878 HD22 HG21 ' A' ' 71' ' ' ILE . 3.0 tt -46.39 110.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -100.84 -174.87 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.6 mptt -54.74 158.16 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.02 80.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 6.5 m -116.61 20.19 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.19 -36.82 80.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.23 66.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.14 -52.99 12.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.7 pt -70.52 -22.0 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -51.04 -22.26 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 47.0 t0 -58.21 -51.19 70.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 110' ' ' ASP . 1.0 OUTLIER -119.73 50.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t -95.54 153.11 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -37.88 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.04 166.6 28.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.39 67.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.23 143.9 21.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.605 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.02 -161.82 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.28 37.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.8 pp -89.72 -12.43 39.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 40.0 tt0 -110.57 154.95 23.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 120' ' ' GLU . . . 99.69 -10.4 60.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.468 HG22 ' HG3' ' A' ' 123' ' ' GLU . 2.1 mp -120.08 149.02 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.6 mt-10 72.26 5.03 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -52.94 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -52.57 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 67.5 t -50.51 -53.79 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -32.86 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -83.4 -61.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.44 -27.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -127.51 73.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' HD21 ' A' ' 31' ' ' LEU . 12.3 tpt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.517 0.199 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.815 HD13 HG21 ' A' ' 34' ' ' THR . 5.5 tt -161.97 -68.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.005 ' HA ' HD11 ' A' ' 53' ' ' LEU . 54.4 mt -96.27 -24.57 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 61' ' ' LEU . 6.6 pt -151.0 166.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.795 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -116.36 167.9 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.01 -33.95 4.18 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.795 ' H ' HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -53.21 -50.62 64.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.526 ' H ' HG22 ' A' ' 5' ' ' THR . 48.8 mt-10 -67.93 -38.86 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 26' ' ' LEU . 21.5 tp -52.59 -51.07 61.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -33.03 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -67.11 -33.49 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -90.81 -49.01 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -77.37 128.14 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -103.32 19.56 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.78 117.06 25.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 20' ' ' THR . 14.4 tt0 -49.33 -24.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -71.44 -39.04 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 9' ' ' LEU . 61.5 t -75.86 -32.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -68.21 -55.43 12.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 16' ' ' GLU . 2.8 t -58.43 -37.55 75.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.791 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.53 131.58 2.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.597 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.96 142.01 27.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.64 -34.63 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.26 -28.34 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 21' ' ' ARG . 24.5 mt -89.69 -52.53 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 9' ' ' LEU . 21.3 mt -46.0 -45.34 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -56.25 18.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -58.6 -41.48 85.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.75 -47.98 82.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.63 -50.35 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 HD21 ' C ' ' A' ' 1' ' ' MET . 7.3 mt -61.99 -40.65 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HG2' ' CE ' ' A' ' 85' ' ' LYS . 13.9 tp10 -55.0 -33.42 62.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.815 HG21 HD13 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -47.21 -48.88 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.82 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.1 -55.46 16.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.856 HG23 HG21 ' A' ' 108' ' ' ILE . 5.4 mt -61.84 -33.39 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 14.9 mt -73.18 -35.45 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.54 -22.99 61.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -75.58 -43.99 45.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 111' ' ' TYR . 32.3 m -84.6 -24.29 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 67.62 38.98 90.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 99.5 m-70 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -92.18 159.27 15.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 102.01 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.2 -41.49 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.47 119.45 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.97 -16.51 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -87.17 9.77 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 49.3 t80 -161.8 65.32 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 51' ' ' ILE . 59.0 mt -138.72 64.48 36.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 151.86 39.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.005 HD11 ' HA ' ' A' ' 3' ' ' LEU . 3.4 tp -137.64 76.34 42.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.34 33.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.18 -39.09 81.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 t -54.19 -44.96 72.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.66 -54.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -48.03 -38.81 18.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.5 -49.61 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.27 -46.16 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.843 HD23 HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -69.34 -43.43 73.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.84 -36.77 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -72.94 -51.68 17.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.58 -47.72 81.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.41 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -60.34 -49.56 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.69 -32.53 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 99' ' ' LEU . 5.3 t80 -70.29 -51.57 29.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -49.69 61.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.59 -27.28 38.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.39 -46.1 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.656 HD12 ' CG ' ' A' ' 91' ' ' TYR . 37.6 pt -93.07 29.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -109.54 -13.16 14.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.24 74.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -94.47 17.06 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 49.58 42.59 23.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 t -171.84 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LYS . 81.7 mt -69.05 140.03 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.558 ' O ' HG22 ' A' ' 78' ' ' ILE . 2.5 mp -67.37 72.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -146.24 20.27 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.12 94.71 1.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.46 173.54 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 82' ' ' THR . 19.2 m -89.08 16.7 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.1 p -138.33 158.1 44.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.6 -162.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' CE ' ' HG2' ' A' ' 32' ' ' GLU . 3.2 ptmm? -81.59 121.2 26.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 86' ' ' ILE . 64.6 mt -105.69 4.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.61 -92.11 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.8 -167.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -143.73 44.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -114.27 48.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CG ' HD12 ' A' ' 71' ' ' ILE . 14.9 m-30 -91.89 18.27 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.3 m -51.76 120.1 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.709 HD11 ' HB2' ' A' ' 99' ' ' LEU . 12.2 mt -73.52 173.07 10.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.91 -18.1 70.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.25 10.25 40.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.43 8.67 63.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -74.41 149.5 40.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 p -98.65 74.17 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.709 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.1 tp -48.79 104.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.17 170.4 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.09 143.43 53.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.01 34.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.31 75.79 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.26 10.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.77 -34.54 78.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.29 -24.79 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.14 -43.4 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.856 HG21 HG23 ' A' ' 37' ' ' ILE . 34.6 pt -88.62 12.19 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -53.33 -32.05 47.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.74 -44.88 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' HB3' HG11 ' A' ' 41' ' ' VAL . 4.4 m-30 -72.73 -47.2 48.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 108' ' ' ILE . 78.0 t -43.86 117.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.38 84.95 42.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.0 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.67 63.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -124.24 143.49 42.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.494 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.03 -161.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -91.18 39.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.3 pp -90.68 -18.35 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.558 ' N ' HD12 ' A' ' 119' ' ' LEU . 2.2 tm-20 -46.04 158.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -51.26 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 120' ' ' GLU . 81.8 mt -135.14 152.24 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.01 5.74 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.94 -54.6 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -63.85 -53.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -52.66 -51.03 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.445 ' O ' ' CG1' ' A' ' 131' ' ' ILE . 5.8 mtt180 -47.44 -29.68 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 ttp -92.65 -48.9 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -27.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 40.3 t -110.83 43.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 127' ' ' ARG . 3.7 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' HD21 ' A' ' 31' ' ' LEU . 7.8 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.518 0.199 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 3' ' ' LEU . 2.7 tt 64.96 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 173.72 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 61' ' ' LEU . 2.2 pt -66.78 147.43 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -99.77 158.58 31.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -17.41 19.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -34.23 65.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.72 -37.48 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD21 HD22 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -56.15 -49.98 72.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.33 -31.41 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.9 t -59.95 -41.82 92.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -87.28 -48.6 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -65.56 118.81 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.1 m -92.07 38.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.58 114.95 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.04 -28.12 16.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 20' ' ' THR . 14.8 m -64.32 -38.88 92.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.19 -32.97 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -67.92 -55.24 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 17' ' ' SER . 9.3 t -54.69 -44.3 73.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -45.77 133.49 6.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.28 42.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -66.62 -35.42 80.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.14 -32.14 70.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 26.0 mt -90.06 -43.74 10.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD22 HD21 ' A' ' 9' ' ' LEU . 26.8 mt -52.67 -41.83 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -56.64 -61.19 2.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.26 -32.65 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 12.6 m-20 -73.42 -41.25 63.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 61' ' ' LEU . 21.2 mt -60.88 -50.19 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 1' ' ' MET . 13.8 mt -62.55 -30.57 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.21 75.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.49 -45.98 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.507 ' N ' HD21 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -57.97 -39.0 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.97 -33.98 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.59 -48.43 32.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 61' ' ' LEU . 41.9 mt -61.91 -36.35 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.27 -35.18 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.1 -22.85 61.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -75.34 -47.03 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 112' ' ' VAL . 26.9 m -78.5 -32.03 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 78.32 36.17 31.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 91.5 m-70 -160.08 143.26 13.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 0.78 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -113.94 142.98 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.41 104.04 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -129.79 39.87 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.14 109.94 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -53.93 -20.44 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 26.01 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.1 t80 179.17 61.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 51' ' ' ILE . 18.3 mt -125.8 76.85 70.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.08 32.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.436 1.756 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 2' ' ' LEU . 2.8 tp -169.46 72.54 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.95 -176.57 2.93 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -38.77 81.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.428 ' H ' HG23 ' A' ' 56' ' ' THR . 43.0 p -54.05 -48.7 70.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.94 -51.62 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -38.18 65.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.78 -48.4 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -57.56 -42.9 83.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -70.14 -40.48 74.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 10.7 mt -63.5 -39.3 94.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -70.84 -52.55 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -60.2 -47.77 84.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 21.0 t -57.92 -40.9 81.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.143 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.41 -41.8 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 99' ' ' LEU . 22.4 t80 -55.24 -57.15 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 -46.58 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.0 -30.94 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.77 -48.97 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.833 HD12 ' CG ' ' A' ' 91' ' ' TYR . 11.2 pt -92.78 27.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -103.01 -25.78 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.04 57.24 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -112.02 107.75 16.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' ASP . 1.9 tp10 38.09 43.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m 44.57 65.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -51.81 165.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 77' ' ' ILE . 16.1 mt -79.6 115.87 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG22 ' A' ' 77' ' ' ILE . 3.8 mtmp? -139.57 95.34 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.39 114.85 1.1 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 15.7 p90 -171.08 -51.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 82' ' ' THR . 18.8 m -143.72 15.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' GLU . 2.0 m 55.41 174.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' THR . 1.5 tp10 59.13 151.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -78.87 110.48 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.4 mt -128.7 -146.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -111.59 -118.41 3.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 44.0 -164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -118.72 124.09 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 2.3 m 174.76 41.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.833 ' CG ' HD12 ' A' ' 71' ' ' ILE . 58.9 m-85 -119.4 73.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 m -67.64 137.25 55.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 99' ' ' LEU . 60.1 mt -83.73 172.48 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.76 -16.14 76.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.49 9.72 33.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.19 20.34 79.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.0 m -95.87 159.36 15.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.4 p -114.51 88.53 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CG2' ' A' ' 71' ' ' ILE . 2.2 tp -61.78 105.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.97 162.15 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 11.7 mttm -41.06 147.53 0.42 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.03 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.11 72.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.442 HG21 ' HB1' ' A' ' 60' ' ' ALA . 2.4 m -110.4 23.34 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.6 t80 -69.28 -44.9 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.93 -25.64 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.39 -44.39 65.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 37' ' ' ILE . 20.8 pt -83.67 -19.37 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 105' ' ' TYR . 10.3 ttpt -56.26 -20.4 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -62.89 -43.63 98.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -122.05 42.43 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.767 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -79.85 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.1 tptt 51.04 80.69 0.28 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 127.83 11.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.08 70.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -139.84 119.28 8.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -161.42 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 44.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 119' ' ' LEU . 2.3 pp -86.89 -15.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.57 ' N ' HD12 ' A' ' 119' ' ' LEU . 29.4 tt0 -39.06 156.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.51 87.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 120' ' ' GLU . 63.0 mt -125.89 156.46 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 69.12 7.48 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.11 -56.35 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -57.26 -49.79 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.61 -52.34 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -27.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.753 ' O ' HG22 ' A' ' 131' ' ' ILE . 22.1 mmt -91.47 -52.64 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -30.25 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 60.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.753 HG22 ' O ' ' A' ' 128' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.537 0.208 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 3' ' ' LEU . 2.9 tm? -48.44 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 167.58 -41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.21 167.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -120.17 166.26 15.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -32.57 5.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.776 ' H ' HG23 ' A' ' 5' ' ' THR . 59.5 m-20 -50.3 -34.13 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.5 -36.75 52.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 26' ' ' LEU . 10.5 tp -52.83 -48.92 66.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.94 -32.69 71.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -61.35 -38.7 87.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 12.4 t80 -86.34 -44.1 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -83.03 122.59 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -95.04 26.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -93.76 133.09 37.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.38 -34.25 76.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 m -58.8 -43.4 90.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.611 HG22 ' CB ' ' A' ' 69' ' ' ALA . 57.7 t -67.12 -40.69 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -53.24 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -56.94 -20.05 21.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CZ ' ' HA2' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -73.25 134.47 80.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.84 43.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.92 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.29 -42.53 77.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.87 -43.88 34.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 9' ' ' LEU . 15.6 mt -55.68 -40.41 72.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -58.59 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -55.38 -28.99 57.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -76.91 -51.95 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -50.9 -50.76 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 4.6 mt -59.86 -33.04 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -37.95 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -75.89 -35.72 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -53.55 -36.82 62.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.2 74.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -56.83 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.578 HD12 HD23 ' A' ' 61' ' ' LEU . 35.3 mt -57.9 -50.37 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.0 -36.18 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.23 -29.81 60.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HB3' HD12 ' A' ' 108' ' ' ILE . 10.6 mttm -70.02 -46.23 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.49 -29.85 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.07 41.6 31.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -176.01 127.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.596 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.81 177.79 5.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.95 84.25 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 -49.43 5.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 113.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.57 -18.09 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.41 11.35 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 43.4 t80 -162.67 67.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.4 mt -129.89 70.19 81.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.14 41.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -153.85 77.78 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.822 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -81.64 -31.69 32.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -62.74 -55.58 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 54' ' ' PRO . 81.1 t -58.13 -54.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 62' ' ' LEU . 5.3 mtp180 -54.42 -36.13 63.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.02 -48.03 39.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.87 -41.5 82.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.9 -42.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.3 mt -58.59 -44.45 89.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -65.01 -50.14 67.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 4.1 mt -58.15 -44.55 87.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -59.25 -36.54 75.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -77.04 -40.76 45.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CD2' HD21 ' A' ' 99' ' ' LEU . 7.6 t80 -52.99 -56.22 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.95 -49.75 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.611 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -55.37 -27.0 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 11.2 tp -75.88 -49.03 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.841 HD12 ' CG ' ' A' ' 91' ' ' TYR . 10.0 pt -92.62 29.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -121.88 -42.43 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' HA2' ' CZ ' ' A' ' 21' ' ' ARG . . . -94.33 15.6 62.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 77' ' ' ILE . 10.7 t70 -92.78 166.88 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.4 mt-10 -74.13 58.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' GLU . 2.8 t 84.76 -48.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 77' ' ' ILE . 0.4 OUTLIER 60.16 20.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 78' ' ' ILE . 6.5 mm 63.06 126.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.37 109.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.1 116.73 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 90' ' ' SER . 1.3 p90 -172.54 -170.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 83' ' ' THR . 1.9 t -77.81 145.33 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 82' ' ' THR . 1.1 m 80.8 -174.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' H ' HG22 ' A' ' 83' ' ' THR . 1.1 mt-10 -110.8 -149.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -92.18 33.52 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.454 HD12 HG22 ' A' ' 83' ' ' THR . 14.6 mt -74.07 -2.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.62 58.36 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.69 168.16 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -123.46 109.76 14.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 167.4 58.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.841 ' CG ' HD12 ' A' ' 71' ' ' ILE . 71.1 m-85 -115.88 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.5 m -51.31 160.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 97' ' ' SER . 90.5 mt -123.58 157.37 33.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.11 -41.24 2.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.24 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.99 43.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.613 ' HB2' HD12 ' A' ' 93' ' ' LEU . 1.3 m -116.91 145.81 43.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' GLN . 3.9 p -99.61 65.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -52.68 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -126.38 118.34 24.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.65 117.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.33 8.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.4 69.4 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 10.4 m -119.26 15.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -43.43 70.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.77 -25.05 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -52.07 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 112' ' ' VAL . 19.2 pt -75.2 -21.59 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -49.03 -23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -37.95 85.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.2 m-85 -119.33 45.32 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t -100.69 146.87 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -39.14 99.61 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -74.99 169.1 23.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.56 80.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -129.31 145.73 57.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.799 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.58 29.44 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.799 HD23 ' HG2' ' A' ' 117' ' ' PRO . 3.3 pp -76.67 -8.53 57.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 173.49 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.21 87.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.6 mt -132.28 150.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.24 3.81 4.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.9 -56.87 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -48.29 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.5 -43.58 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -31.21 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -35.95 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.41 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.76 70.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.464 0.173 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.663 HD13 HG23 ' A' ' 34' ' ' THR . 22.2 tp -64.74 -91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -178.55 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.71 152.93 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -107.36 163.64 16.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.06 18.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -31.53 49.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.73 -30.97 56.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.3 -50.89 71.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 3.0 pttt -67.76 -31.63 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -52.84 -40.77 63.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -91.42 -47.09 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.1 t -59.13 145.38 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -119.47 30.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -107.76 116.89 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -52.18 -29.04 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -62.97 -42.51 99.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.22 -40.58 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -63.91 -46.6 84.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.833 HG23 ' O ' ' A' ' 16' ' ' GLU . 22.4 p -61.09 -54.74 40.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 145.03 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 158.79 42.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -64.09 -46.32 84.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.74 -48.12 63.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.7 -43.8 83.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 HD23 ' A' ' 9' ' ' LEU . 14.4 mt -54.09 -42.93 69.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -54.95 41.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -54.95 -35.86 64.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.0 -51.06 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.5 -50.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 12.9 mt -61.25 -32.4 72.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.64 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.69 -30.11 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.663 HG23 HD13 ' A' ' 2' ' ' LEU . 5.3 m -58.84 -37.29 76.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.433 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.11 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -54.99 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -61.79 -43.62 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 34' ' ' THR . 32.7 mt -58.47 -40.61 79.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.58 -26.72 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 108' ' ' ILE . 1.1 mttt -75.43 -46.95 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 111' ' ' TYR . 28.2 m -84.79 1.41 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.76 40.49 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 5.3 p80 -174.42 143.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.773 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -112.64 -179.14 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.66 90.98 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -101.68 -59.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -42.03 107.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 -20.9 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.38 21.55 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.0 t80 -173.4 63.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 51' ' ' ILE . 12.6 mt -123.54 76.41 54.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 3' ' ' LEU . 3.0 tp -144.02 79.42 13.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.13 -18.53 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 p -73.5 -48.55 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 24.9 t -62.85 -54.79 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 62' ' ' LEU . 8.3 mtm180 -52.39 -45.72 65.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.48 -50.97 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -53.09 -44.69 67.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -71.26 -41.63 69.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.9 mt -57.49 -41.51 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -70.96 -52.45 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -55.11 -52.86 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' OG ' HD13 ' A' ' 9' ' ' LEU . 96.0 p -56.95 -53.18 60.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -58.34 -42.59 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 99' ' ' LEU . 1.5 t80 -58.68 -47.85 83.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.89 -55.76 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.97 -30.42 34.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.8 tp -61.52 -71.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.578 ' CG2' HD22 ' A' ' 99' ' ' LEU . 2.8 pt -54.9 -38.39 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -61.72 -47.26 86.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.87 37.64 3.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -105.05 178.15 4.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.28 -45.86 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER 177.37 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.48 HD13 ' HB ' ' A' ' 71' ' ' ILE . 2.6 mt 58.32 156.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 145.87 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.43 18.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . 71.35 113.03 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 12.4 p90 40.59 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -137.2 118.05 14.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 84' ' ' GLU . 2.2 m -110.4 -152.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -104.75 6.15 33.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 110.68 18.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.79 -1.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.8 86.32 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -139.22 -161.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 25.3 m-85 -115.99 49.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.416 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 10.6 m -148.79 109.55 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 90' ' ' SER . 11.8 m-85 -160.41 75.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 95' ' ' ASP . 7.4 m -55.18 122.98 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 99' ' ' LEU . 8.8 mt -59.52 -113.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -76.0 7.29 29.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.613 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 18.0 t0 91.54 59.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.36 -36.17 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 137.27 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 p -104.88 86.46 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.6 tp -63.01 119.28 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -102.93 149.64 24.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' CD ' ' CE2' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -41.88 157.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.21 33.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.94 86.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 14.0 m -126.0 20.07 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.66 -44.72 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.11 65.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.09 -29.19 68.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.976 ' O ' HG23 ' A' ' 112' ' ' VAL . 24.6 pt -98.27 -14.74 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -68.57 -9.07 47.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.17 -36.27 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.822 ' CE2' HG11 ' A' ' 41' ' ' VAL . 28.6 p90 -132.39 47.97 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t -93.6 138.12 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 -178.07 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.07 66.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.94 145.03 35.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.733 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.97 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.44 ' O ' HD12 ' A' ' 122' ' ' ILE . 0.9 OUTLIER -92.65 26.45 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.733 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.6 pp -74.15 -17.74 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' N ' HD12 ' A' ' 119' ' ' LEU . 13.4 tt0 -49.39 164.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.16 86.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 118' ' ' ASP . 46.4 mt -114.53 157.92 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.38 6.35 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -57.28 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -36.36 79.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.41 ' O ' ' CB ' ' A' ' 130' ' ' SER . 72.0 t -67.63 -36.4 76.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -74.29 -20.73 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.0 mmt -93.09 -59.37 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -56.12 -18.77 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 126' ' ' VAL . 41.6 t -86.86 -38.88 16.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.577 ' O ' HG21 ' A' ' 34' ' ' THR . 1.2 tpp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.476 0.179 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.651 HD11 ' HG ' ' A' ' 61' ' ' LEU . 1.6 mt 165.9 154.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.17 24.85 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.417 HG23 HD22 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -109.13 174.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.75 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -124.69 167.64 15.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -34.13 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.75 ' H ' HG23 ' A' ' 5' ' ' THR . 1.1 m-20 -51.29 -51.05 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' H ' HG22 ' A' ' 5' ' ' THR . 2.2 mm-40 -60.01 -40.3 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -52.73 -51.02 62.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.94 -29.02 66.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.7 t -65.98 -34.01 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -87.2 -45.79 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -72.06 139.57 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -107.42 31.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -106.98 129.23 54.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 20' ' ' THR . 6.4 pt-20 -63.12 -24.35 67.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -66.02 -47.75 73.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.573 ' O ' HD11 ' A' ' 26' ' ' LEU . 59.3 t -67.05 -33.1 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -71.32 -40.57 70.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 16' ' ' GLU . 3.9 p -67.34 -50.78 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.66 146.3 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.59 39.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.49 -27.14 65.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -30.85 70.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 25' ' ' LEU . 26.2 mt -90.43 -48.62 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 HD21 ' A' ' 9' ' ' LEU . 14.2 mt -44.37 -45.96 9.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.25 -47.25 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.15 -43.35 74.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.68 -39.21 67.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.549 HD11 HD22 ' A' ' 9' ' ' LEU . 29.8 mt -60.13 -33.0 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 34' ' ' THR . 3.4 mt -74.22 -31.62 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -31.52 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -67.02 -26.12 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -76.36 -30.17 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.5 80.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.15 -52.01 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.482 HD12 HD22 ' A' ' 61' ' ' LEU . 10.3 mt -57.79 -36.1 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 34' ' ' THR . 20.2 mt -74.65 -36.46 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.4 -23.96 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -77.25 -46.8 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' VAL . 33.1 m -82.92 3.53 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.61 40.4 2.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -171.39 141.84 1.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.591 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -113.46 167.18 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -100.22 88.22 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -92.68 -73.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -40.43 113.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.31 -15.13 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 14.79 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 27.7 t80 -165.11 65.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 51' ' ' ILE . 23.1 mt -127.6 72.67 78.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.15 17.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 58' ' ' ARG . 2.4 tp -122.21 79.63 44.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.05 162.44 37.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.66 -17.47 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -74.84 -55.8 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 55.6 t -55.44 -53.06 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' HD2' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.57 -45.7 70.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.45 -50.55 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.78 69.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.651 ' HG ' HD11 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -73.31 -38.98 65.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.5 -37.19 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -72.59 -47.34 48.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -63.21 -46.02 88.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 9' ' ' LEU . 31.0 t -58.72 -44.41 90.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -66.2 -43.91 85.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -56.21 -56.25 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -66.3 -50.01 65.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.3 -29.46 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.1 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.893 HD12 ' CG ' ' A' ' 91' ' ' TYR . 6.5 pt -58.03 -45.22 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . -107.76 -102.91 2.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 12.4 t70 55.01 169.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mp0 -38.73 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.52 61.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mt -66.99 155.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.537 HG22 ' H ' ' A' ' 80' ' ' GLY . 26.3 mt -136.54 141.74 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 91' ' ' TYR . 3.7 mppt? -92.97 24.0 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.537 ' H ' HG22 ' A' ' 78' ' ' ILE . . . 141.73 -96.89 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 81' ' ' TYR . 10.2 p90 -161.06 84.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' TYR . 2.7 m 77.42 21.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -106.36 162.66 13.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 6.7 mp0 -97.45 -162.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 121.2 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 86' ' ' ILE . 58.0 mt -102.64 4.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.52 57.67 2.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 179.48 -176.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -38.9 102.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.484 ' OG ' ' CD2' ' A' ' 91' ' ' TYR . 26.3 p -168.91 -147.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.893 ' CG ' HD12 ' A' ' 71' ' ' ILE . 46.7 m-85 44.38 54.53 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 m -57.32 130.86 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 99' ' ' LEU . 11.4 mt -84.63 169.84 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.98 -24.23 60.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -94.04 22.57 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.73 33.81 55.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -92.38 160.74 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.753 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 p -112.59 66.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.775 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.5 tp -55.43 110.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.12 175.64 5.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.61 153.71 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -177.07 3.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.564 1.823 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.7 66.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.615 ' HB ' HD12 ' A' ' 107' ' ' LEU . 2.4 m -106.12 18.92 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.82 66.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 104' ' ' VAL . 87.4 mt -67.03 -38.52 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.739 HG22 ' OH ' ' A' ' 111' ' ' TYR . 47.2 pt -87.25 -27.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -53.48 -20.96 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.02 -41.19 74.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 57' ' ' VAL . 41.8 p90 -125.92 40.24 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER -79.69 152.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -38.92 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 178.89 6.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.1 67.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -119.25 143.47 34.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.603 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -74.97 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' O ' HD11 ' A' ' 122' ' ' ILE . 0.8 OUTLIER -91.57 40.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 119' ' ' LEU . 2.2 pp -91.91 -15.15 28.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -67.51 169.83 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 50.19 -118.21 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 121' ' ' GLY . 46.6 mt 56.41 158.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 65.5 8.23 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.7 -55.76 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -53.48 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.94 -50.86 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -29.74 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 131' ' ' ILE . 15.6 mmt -95.1 -47.32 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -28.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -87.37 -32.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 131' ' ' ILE . 2.6 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.473 0.178 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.657 HD22 ' HB ' ' A' ' 34' ' ' THR . 8.4 tp -101.01 -87.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.84 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.678 HG23 HD21 ' A' ' 53' ' ' LEU . 6.3 pt -77.81 179.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -129.82 163.17 48.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -25.86 11.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -30.86 68.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.94 -39.35 61.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.6 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.89 -48.43 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.9 -29.44 66.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.79 -29.22 70.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -97.28 -44.31 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p -75.45 137.56 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -106.51 24.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.0 129.4 43.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.949 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tt0 -66.08 -31.77 72.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 t -58.38 -36.09 72.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.4 t -75.14 -44.45 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -55.43 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 16' ' ' GLU . 74.4 p -46.8 -58.14 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.0 143.81 0.46 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.65 34.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -69.84 -38.81 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -60.32 -27.4 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.92 -49.5 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.8 mt -43.68 -42.93 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -45.5 84.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.96 -46.12 74.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 69' ' ' ALA . 51.2 t0 -65.68 -33.36 75.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 6' ' ' PRO . 50.5 mt -68.71 -51.18 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' HG22 ' A' ' 34' ' ' THR . 41.1 mt -59.28 -32.98 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -31.73 68.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.19 -44.87 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.657 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.1 t -69.74 -24.38 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.45 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.87 -50.12 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.773 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.7 mt -57.0 -32.75 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.648 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 15.5 mt -64.0 -38.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -32.13 55.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 23.7 mttm -66.32 -45.86 78.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 37' ' ' ILE . 35.7 m -84.92 -24.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.21 19.68 68.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' VAL . 88.8 m-70 -132.14 128.15 37.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PHE . 1.4 p30 -94.01 14.53 19.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER 35.67 92.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.725 ' C ' HD11 ' A' ' 51' ' ' ILE . 23.2 t -117.75 -59.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -38.13 122.43 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.21 54.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -168.79 -36.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 54.3 t80 -103.69 39.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.725 HD11 ' C ' ' A' ' 46' ' ' SER . 96.4 mt -119.03 68.93 9.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -75.01 147.78 34.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.437 1.756 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 3' ' ' LEU . 2.7 tp -132.77 80.14 62.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.0 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -79.1 -30.91 44.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -61.32 -53.5 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -60.8 -52.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -53.58 -42.28 67.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.95 -42.2 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.838 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -64.88 -41.51 95.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD11 ' OG1' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.3 -44.34 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.88 -44.45 82.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -66.29 -49.29 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -58.74 -48.38 81.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.03 -39.38 93.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.81 -56.06 26.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.1 -48.48 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' OD2' ' A' ' 29' ' ' ASP . . . -54.21 -27.77 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -76.27 -48.5 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.874 HD12 ' CG ' ' A' ' 91' ' ' TYR . 19.2 pt -92.79 28.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -123.85 -44.11 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.67 -37.14 20.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -49.39 107.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.41 54.72 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.05 -51.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.406 ' CG2' ' HA ' ' A' ' 91' ' ' TYR . 73.9 mt -50.84 132.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 78' ' ' ILE . 2.8 mp -100.84 110.43 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 2.9 ptpp? -90.02 -167.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.719 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -72.74 89.15 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 80' ' ' GLY . 6.3 t80 -36.57 -32.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' GLY . 31.0 p -42.44 115.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.0 m -46.19 168.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 68.76 148.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -48.23 163.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.719 HD11 ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -132.02 -142.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 86' ' ' ILE . . . 141.46 45.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.6 -165.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -60.52 119.49 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.21 -148.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.874 ' CG ' HD12 ' A' ' 71' ' ' ILE . 23.8 m-85 39.21 65.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.3 m -77.63 125.31 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 93' ' ' LEU . 5.9 mt -77.57 154.85 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.02 -15.62 29.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.99 18.48 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.67 13.2 58.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 156.27 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -121.03 71.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 tp -44.63 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -103.35 163.82 12.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.47 146.59 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.85 53.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.838 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -92.98 5.45 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 109' ' ' LYS . 40.7 t80 -54.4 -35.21 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.01 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.68 HD12 ' HB ' ' A' ' 104' ' ' VAL . 88.6 mt -70.93 -26.02 63.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.665 HG21 HG23 ' A' ' 37' ' ' ILE . 18.4 pt -106.84 -10.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . 37.6 tptt -60.69 -15.28 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.37 -47.86 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 4.0 m-30 -89.89 -1.52 58.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t -60.75 142.71 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 38.0 tttm -38.48 99.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.1 Cg_endo -75.05 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.07 67.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -141.95 143.74 29.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.752 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.05 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -91.73 37.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.752 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.9 pp -89.68 -20.54 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.472 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.6 mt-10 -49.79 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -55.23 92.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.572 HD13 ' OD2' ' A' ' 118' ' ' ASP . 77.6 mt -127.92 152.75 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.65 4.77 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.92 -56.39 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -57.95 -48.19 80.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.23 -53.7 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -33.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.85 -55.53 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -26.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.24 65.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HB3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.493 0.187 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.709 HD12 HG22 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -71.72 -158.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.727 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 tm? -125.58 -43.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 pt -61.12 -176.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 p -137.76 163.92 44.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.76 11.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.16 -33.07 69.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.44 -38.54 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CD2' HD22 ' A' ' 26' ' ' LEU . 2.0 tp -56.1 -50.18 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -34.34 72.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -59.56 -28.2 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.525 ' CD2' HD22 ' A' ' 62' ' ' LEU . 16.9 t80 -99.53 -47.02 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -75.14 121.86 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.77 36.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 70' ' ' LEU . 3.0 m-85 -100.09 130.19 46.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.43 -37.43 85.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -61.5 -50.26 73.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 69' ' ' ALA . 97.2 t -65.04 -35.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -55.01 28.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 p -57.13 -46.93 82.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 134.47 1.02 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.48 41.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.2 -40.91 82.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.83 -32.07 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.4 mt -88.21 -44.58 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CD2' ' A' ' 9' ' ' LEU . 16.7 mt -51.7 -43.44 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.19 -57.73 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -55.99 -32.91 64.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -73.99 -37.42 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.709 HG22 HD12 ' A' ' 2' ' ' LEU . 70.1 mt -74.76 -39.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 34' ' ' THR . 6.4 mt -62.72 -48.97 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 85' ' ' LYS . 1.3 tp10 -58.72 -36.74 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.7 76.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.77 -27.96 64.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.52 81.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.88 -47.49 83.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 HD13 ' A' ' 108' ' ' ILE . 6.7 mt -62.14 -40.45 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 mt -66.83 -38.27 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.34 -26.22 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -77.99 -45.31 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 HD12 ' A' ' 108' ' ' ILE . 10.9 m -88.03 -1.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 43.34 42.03 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.15 147.35 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 0.777 . . . . 0.0 109.605 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -102.41 155.21 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.45 41.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -108.36 62.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -132.17 110.95 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -28.22 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.7 pt-20 -98.15 45.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' C ' ' A' ' 51' ' ' ILE . 1.1 t80 -178.94 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.792 HG22 ' O ' ' A' ' 51' ' ' ILE . 28.7 mt 25.58 62.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -74.98 133.39 16.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 3' ' ' LEU . 3.7 tp -167.72 72.46 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 Cg_endo -75.05 164.11 33.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.99 -23.63 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.9 p -67.99 -53.45 25.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 108' ' ' ILE . 46.8 t -62.0 -53.77 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -47.65 -42.56 24.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -73.09 -39.78 65.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -62.26 -43.51 98.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -73.29 -39.91 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 58' ' ' ARG . 8.9 mt -60.94 -40.67 94.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -71.76 -49.99 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.2 -43.11 87.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 7.9 t -68.82 -46.39 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.65 -32.37 73.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 100' ' ' GLN . 2.9 t80 -71.84 -52.57 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -70.61 -45.66 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -59.27 -27.21 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.6 tp -68.33 -70.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.732 ' HA ' HD12 ' A' ' 77' ' ' ILE . 4.7 pt -58.64 -37.37 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 10.7 m-20 -40.9 -35.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ASP . . . -115.99 -97.39 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 14.0 t70 53.53 172.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -41.69 -64.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -171.17 58.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 92' ' ' THR . 57.1 mt -68.17 133.25 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 95.7 mt -52.92 163.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG3' ' CB ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 75.06 123.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' HE3' ' A' ' 79' ' ' LYS . . . 73.17 122.61 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 3.2 p90 -151.5 -52.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 82' ' ' THR . 7.5 m -141.72 15.15 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -120.28 159.42 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.54 -171.93 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' CB ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -67.84 126.36 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 86' ' ' ILE . 54.1 mt -108.97 2.61 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.6 26.89 53.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.94 -176.22 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.41 126.54 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.459 ' CB ' ' HG3' ' A' ' 79' ' ' LYS . 0.3 OUTLIER 170.06 41.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.659 ' CG ' HD12 ' A' ' 71' ' ' ILE . 87.3 m-85 -91.85 93.4 8.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.858 ' O ' HG23 ' A' ' 77' ' ' ILE . 6.8 m -82.72 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 97' ' ' SER . 7.6 mt -71.45 -157.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -32.74 -37.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.6 m-20 155.6 77.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.61 -72.69 0.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.596 ' HB2' HD12 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -40.68 120.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.964 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.12 72.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 93' ' ' LEU . 1.3 tp -56.39 114.21 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.506 ' O ' ' CE2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -111.42 170.41 8.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.1 mttp -50.37 141.46 16.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.0 155.51 42.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.16 76.03 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.628 ' HB ' HD12 ' A' ' 107' ' ' LEU . 12.9 m -104.9 22.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' LYS . 81.9 t80 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.72 -27.79 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 104' ' ' VAL . 86.9 mt -68.9 -41.39 78.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.815 ' O ' HG23 ' A' ' 112' ' ' VAL . 14.6 pt -101.88 13.93 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.36 -27.21 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.29 -22.31 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 1.3 m-85 -110.02 25.1 12.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER -81.67 158.69 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -39.7 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.49 69.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -113.15 143.22 28.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.44 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.22 40.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.3 pp -90.62 -16.37 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.562 ' N ' HD12 ' A' ' 119' ' ' LEU . 31.5 tp10 -61.86 152.47 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 96.0 -131.05 10.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 54.75 167.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 122' ' ' ILE . 0.7 OUTLIER 59.1 12.11 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.49 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -61.04 -50.81 71.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.71 -51.13 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.94 -31.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 mtm -95.33 -43.45 8.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -29.01 20.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -88.12 -21.27 24.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 8.4 tpp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.474 0.178 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.998 HD13 HG22 ' A' ' 30' ' ' ILE . 2.6 mt 166.26 134.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.879 ' HG ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -128.73 46.61 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.914 HG12 HD22 ' A' ' 2' ' ' LEU . 1.5 pt -125.52 145.95 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -103.23 161.34 23.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.98 -24.14 13.15 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.08 -37.69 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.5 -37.7 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -56.03 -48.78 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.77 84.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -50.81 -30.77 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -95.81 -38.2 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -83.78 121.57 27.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.71 43.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -120.16 118.12 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.924 ' O ' HG23 ' A' ' 20' ' ' THR . 5.9 pt-20 -56.12 -22.3 27.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 p -61.85 -45.12 95.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 9' ' ' LEU . 61.9 t -71.26 -34.88 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -63.62 -54.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 16' ' ' GLU . 50.7 p -49.18 -60.77 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -41.59 136.12 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 5.2 p-10 -75.71 -40.34 55.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -57.6 -33.02 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 25' ' ' LEU . 18.5 mt -85.23 -52.35 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 9' ' ' LEU . 50.0 mt -46.75 -43.69 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.88 -53.6 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.01 -52.66 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.998 HG22 HD13 ' A' ' 2' ' ' LEU . 38.4 mt -51.25 -48.91 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' THR . 6.9 mt -56.71 -36.11 69.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -71.37 -30.95 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.89 -48.43 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.523 ' HB ' HD11 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -56.86 -36.88 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.63 25.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -73.02 -53.98 9.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.935 HG23 HG21 ' A' ' 108' ' ' ILE . 28.4 mt -56.92 -36.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -68.35 -35.04 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.24 -28.46 62.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CB ' ' CD1' ' A' ' 108' ' ' ILE . 1.5 mttp -72.51 -44.56 62.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 112' ' ' VAL . 11.8 m -86.55 1.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.85 36.5 3.68 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -164.15 145.97 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.47 163.52 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.38 94.74 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -65.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.18 113.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.42 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.77 9.67 15.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 46.2 t80 -157.71 65.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.763 HG22 ' O ' ' A' ' 51' ' ' ILE . 36.0 mt -133.41 66.1 73.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.76 26.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.879 HD22 ' HG ' ' A' ' 3' ' ' LEU . 4.1 tp -135.04 81.56 44.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.03 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.29 -32.88 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -61.09 -47.51 85.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.23 -51.1 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -38.94 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.59 -47.22 73.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.97 -42.65 85.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -71.03 -44.18 66.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.6 mt -60.63 -36.9 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.03 -49.33 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 13.4 mt -61.62 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' OG ' ' CD1' ' A' ' 61' ' ' LEU . 57.8 m -57.06 -53.15 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 15.6 tt0 -61.01 -38.03 84.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -64.0 -43.07 96.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' LEU . 27.8 m-85 -72.3 -57.22 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' A' ' 18' ' ' VAL . . . -55.39 -31.96 62.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 15' ' ' PHE . 6.1 tp -59.34 -66.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 77' ' ' ILE . 11.3 pt -57.74 -48.58 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 5.4 m-20 -51.38 -49.71 61.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.1 -36.91 86.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.562 1.164 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' OD2' HD11 ' A' ' 77' ' ' ILE . 2.9 t0 -44.48 166.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.47 57.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 91' ' ' TYR . 68.3 mt -49.51 132.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 78' ' ' ILE . 4.7 mp -63.9 88.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -110.95 -172.86 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . -89.92 16.46 56.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 0.5 OUTLIER 65.48 -66.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -145.78 14.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.392 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 80' ' ' GLY . 10.7 m -51.89 166.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 85' ' ' LYS . 2.7 mt-10 -99.83 143.5 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.803 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER 61.36 131.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.974 HG23 ' CZ ' ' A' ' 91' ' ' TYR . 1.8 mm -111.41 -141.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 86' ' ' ILE . . . 51.92 51.36 40.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -115.86 -157.04 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -98.84 37.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 91' ' ' TYR . 1.4 t -133.06 -147.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.974 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 39.2 m-85 47.89 32.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 77' ' ' ILE . 87.3 m -49.83 124.89 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 99' ' ' LEU . 9.7 mt -74.78 165.55 25.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.25 -13.0 40.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -104.66 12.56 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.01 45.31 95.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.3 m -108.77 143.12 38.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 p -90.13 66.62 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.77 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.1 tp -51.45 104.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -104.14 179.46 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -54.04 142.31 46.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.02 146.0 32.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.26 67.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -108.51 -14.97 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -49.91 -36.65 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.53 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 104' ' ' VAL . 40.3 mt -80.26 -45.0 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.935 HG21 HG23 ' A' ' 37' ' ' ILE . 17.1 pt -81.33 1.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.94 -45.04 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.9 -18.56 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.9 m-85 -129.86 29.63 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.54 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.2 t -76.23 161.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 112' ' ' VAL . 1.2 ttpt -39.95 100.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.01 -177.72 3.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.69 71.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -134.27 144.17 50.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.792 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.35 38.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.792 HD23 ' HG2' ' A' ' 117' ' ' PRO . 3.2 pp -91.22 -7.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 24.9 tt0 -72.96 149.75 43.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 35.39 -122.94 0.6 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 121' ' ' GLY . 39.9 mt 56.91 155.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 66.35 9.19 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.27 -34.63 11.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.85 54.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.18 -59.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -18.25 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.514 ' O ' HG22 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -84.25 -62.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -58.1 -25.91 61.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m -112.69 39.27 2.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 128' ' ' MET . 4.0 tp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HG3' HD22 ' A' ' 31' ' ' LEU . 9.1 tpp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.724 HD23 ' OG1' ' A' ' 34' ' ' THR . 0.4 OUTLIER -41.78 136.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.611 ' HG ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -124.84 63.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.588 HG12 HD12 ' A' ' 2' ' ' LEU . 2.4 pt -124.13 146.75 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -92.89 158.22 38.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.88 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -35.87 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -36.79 67.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.826 ' CD2' HD22 ' A' ' 26' ' ' LEU . 7.0 tp -57.45 -47.83 80.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -66.62 -32.59 74.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 t -59.63 -35.7 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 29.9 t80 -93.06 -39.48 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 t -99.13 115.27 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.7 m -93.72 36.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.832 ' HE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-30 -91.19 138.45 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -65.32 -40.1 93.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.3 t -63.37 -36.31 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG21 ' HG3' ' A' ' 66' ' ' GLN . 99.5 t -75.03 -42.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.4 -54.7 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 16' ' ' GLU . 13.6 t -55.75 -32.86 63.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -58.08 137.35 84.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.72 22.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -41.72 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.73 -37.62 66.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' NH1' ' A' ' 21' ' ' ARG . 24.1 mt -79.86 -54.02 6.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.826 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.4 mt -45.09 -47.12 11.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -54.21 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.87 -42.3 71.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.36 -50.77 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.451 HG21 HG13 ' A' ' 4' ' ' ILE . 79.8 mt -49.42 -47.19 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 34' ' ' THR . 59.7 mt -70.08 -48.35 58.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.86 -28.38 56.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.83 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.784 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.4 t -51.76 -26.02 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.02 87.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -68.27 -46.86 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 108' ' ' ILE . 23.2 mt -65.71 -44.47 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.1 mt -60.19 -35.11 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.74 -38.0 54.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 25.9 mttm -60.03 -44.38 94.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.1 m -88.43 -20.45 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 67.88 34.75 83.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 63.7 m-70 -146.7 127.94 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -102.86 123.28 46.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.33 92.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -108.96 -64.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -43.39 109.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.84 -17.95 19.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.75 14.24 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 45.8 t80 -165.02 66.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 51' ' ' ILE . 19.3 mt -124.94 75.02 66.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 37.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD22 ' HG ' ' A' ' 3' ' ' LEU . 4.3 tp -148.99 72.59 10.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.98 -170.94 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -41.62 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -52.99 -55.58 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.25 -55.2 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.35 -44.38 44.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 8.8 tp -70.02 -50.21 43.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.6 -45.44 66.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.1 -42.3 72.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 17.1 mt -59.17 -40.46 85.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.47 -46.09 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -63.88 -42.19 97.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 1.2 m -58.2 -47.43 83.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 18' ' ' VAL . 23.7 tt0 -68.14 -42.04 80.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 100' ' ' GLN . 8.2 t80 -58.93 -53.83 53.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.19 -52.69 25.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.71 -26.68 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.832 HD22 ' HE2' ' A' ' 15' ' ' PHE . 7.0 tp -69.97 -76.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.638 HG22 HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -52.5 -25.47 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.17 -38.18 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -128.19 -106.5 1.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' SER . 28.2 t0 50.59 92.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 39.63 29.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.0 OUTLIER 59.69 64.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.638 HD13 HG22 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -42.09 162.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -49.41 178.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER 90.6 25.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -33.39 95.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.642 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -167.94 38.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 81' ' ' TYR . 12.9 t 47.45 -152.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 84' ' ' GLU . 8.9 t -129.39 -160.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 83' ' ' THR . 1.9 tt0 70.89 4.74 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.741 ' C ' HD13 ' A' ' 86' ' ' ILE . 13.8 ptpt -143.17 101.07 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.741 HD13 ' C ' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -101.1 -146.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' ASP . . . 98.44 151.66 27.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' GLY . 3.7 m-20 -40.48 129.77 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -177.81 -155.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -93.95 146.35 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.481 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 36.8 m-85 -154.83 40.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.454 ' CB ' HG21 ' A' ' 78' ' ' ILE . 16.6 m -43.53 167.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.504 HD12 ' HB3' ' A' ' 97' ' ' SER . 13.3 mt -110.08 -157.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -32.48 -37.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 1.1 m-20 154.79 77.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.72 -78.52 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.504 ' HB3' HD12 ' A' ' 93' ' ' LEU . 11.6 t -42.93 158.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.031 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 99' ' ' LEU . 17.1 m -138.09 62.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 71' ' ' ILE . 5.0 tp -39.28 126.24 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.593 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 34.0 mm-40 -130.52 -174.6 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.5 mptt -45.93 130.07 7.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.04 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.43 64.12 6.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.28 -8.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.92 -35.12 72.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.09 -26.61 63.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.0 mt -73.87 -52.06 14.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 37' ' ' ILE . 1.1 pt -70.34 -16.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -49.15 -38.41 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -27.84 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 45.5 m-85 -127.37 43.16 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.1 t -101.67 140.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 5.9 pttp -40.33 100.65 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.38 4.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.32 69.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.92 144.2 34.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.729 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.01 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.72 26.38 2.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 120' ' ' GLU . 2.5 pp -72.95 -29.39 63.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.781 ' O ' HD12 ' A' ' 119' ' ' LEU . 22.3 tt0 58.61 154.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 120' ' ' GLU . . . -57.98 87.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 119' ' ' LEU . 94.2 mt -130.79 154.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 65.82 9.3 5.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.43 -37.43 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -79.09 -21.87 46.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.88 -55.34 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -23.88 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.0 tpp -80.36 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -50.54 -34.61 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.8 m -112.15 48.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.407 HG22 HD21 ' A' ' 53' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.795 HG22 ' HD2' ' A' ' 6' ' ' PRO . 1.6 m -56.51 147.23 50.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.795 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -30.65 7.02 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -67.63 -37.42 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.18 -30.96 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -67.16 -46.71 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.64 -29.62 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -60.22 -37.93 81.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -94.43 -23.6 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -96.57 119.68 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.77 35.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-85 -103.21 131.68 50.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 20' ' ' THR . 0.5 OUTLIER -64.2 -36.55 84.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -61.77 -43.03 99.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.91 -33.3 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.47 -51.76 39.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 16' ' ' GLU . 13.2 p -56.14 -48.64 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 128.87 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.89 38.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -38.56 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 7.7 pt-20 -55.26 -42.6 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 78.2 mt -79.5 -50.45 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.3 mt -43.15 -34.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.37 -54.7 21.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.49 -38.04 73.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.9 -50.16 37.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.39 -48.29 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -61.25 -40.35 93.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -26.76 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.66 -45.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -61.92 -34.57 76.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.34 -33.06 41.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.85 -51.44 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.718 HG23 HG21 ' A' ' 108' ' ' ILE . 22.5 mt -57.27 -44.59 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 43' ' ' HIS . 16.2 mt -59.75 -36.52 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.44 -35.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -63.08 -41.5 99.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -93.82 -10.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 37.33 92.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' ILE . 88.2 m-70 -151.48 142.56 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -117.67 117.72 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.86 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -106.81 -58.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.03 115.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.752 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.52 -17.37 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.38 12.21 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 51.7 t80 -163.75 67.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 48' ' ' ALA . 56.9 mt -132.24 67.61 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.39 42.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 4' ' ' ILE . 2.9 tp -140.79 73.91 27.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.502 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.0 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.73 -24.2 66.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -68.43 -55.61 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 54' ' ' PRO . 66.7 t -61.79 -54.97 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -50.2 -42.45 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.94 -42.06 63.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.12 98.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -74.32 -39.04 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.07 -41.11 96.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -70.61 -52.25 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.76 -51.34 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.428 ' OG ' HD13 ' A' ' 9' ' ' LEU . 86.8 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.5 -33.94 76.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HE1' HD23 ' A' ' 99' ' ' LEU . 1.2 t80 -69.06 -55.85 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.446 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 2.1 m-85 -61.28 -56.23 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.49 -26.65 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.467 HD22 ' CE2' ' A' ' 15' ' ' PHE . 4.7 tp -73.6 -43.83 58.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.61 HG21 HD22 ' A' ' 99' ' ' LEU . 3.5 pt -97.24 28.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 71' ' ' ILE . 5.9 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' C ' ' CE1' ' A' ' 67' ' ' PHE . 1.7 tt0 -109.7 170.36 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 67' ' ' PHE . 4.3 mttt -45.64 155.15 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HD3' ' CG ' ' A' ' 67' ' ' PHE . 18.1 Cg_endo -75.03 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -120.26 83.84 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 9.2 m -117.2 10.68 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.68 -39.92 90.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.97 64.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.26 -46.66 66.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.718 HG21 HG23 ' A' ' 37' ' ' ILE . 3.4 pt -82.4 -19.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.95 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -30.85 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' ILE . 3.4 m-85 -114.1 22.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 66.75 8.38 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 -56.66 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -57.23 -54.5 46.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.83 -59.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -35.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 tpp -86.33 -59.15 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.502 HD11 ' CG2' ' A' ' 30' ' ' ILE . 4.8 pt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -124.7 160.64 52.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.03 10.39 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -74.24 -32.09 62.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.9 -40.72 75.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.829 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -54.48 -51.0 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.4 pttt -67.19 -32.27 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.9 t -61.29 -30.5 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -99.78 -42.85 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -69.49 131.02 44.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.3 m -103.5 35.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.25 119.88 39.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.95 -35.53 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t -59.55 -37.32 78.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 9' ' ' LEU . 91.5 t -74.36 -35.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -68.78 -54.72 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -45.64 -54.73 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.634 ' NH2' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.68 144.61 0.77 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.85 30.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -22.79 58.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -30.53 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.634 HD13 ' NH2' ' A' ' 21' ' ' ARG . 13.9 mt -92.17 -40.21 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.829 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.5 mt -49.39 -48.67 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -46.05 86.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.92 -43.31 73.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 81.8 m-20 -70.02 -35.49 74.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 4' ' ' ILE . 31.6 mt -65.57 -51.1 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 34' ' ' THR . 2.3 mt -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 mm-40 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.19 79.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -52.54 -30.31 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -60.1 -40.96 91.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.14 -49.06 63.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.709 HG23 HG21 ' A' ' 108' ' ' ILE . 5.6 mt -60.03 -43.62 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 34' ' ' THR . 28.0 mt -62.83 -36.75 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.99 -30.78 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -67.74 -44.31 77.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -87.14 -14.33 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 40.25 96.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -171.63 136.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.41 167.91 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.17 93.16 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -101.95 -56.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.69 112.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.23 -16.38 33.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.39 10.15 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 40.0 t80 -161.08 66.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 51' ' ' ILE . 44.8 mt -133.92 68.61 75.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.42 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -131.75 76.91 73.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.99 175.84 10.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.96 -20.71 61.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -71.85 -57.1 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.22 -54.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -51.21 -42.48 60.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.3 tp -70.73 -44.54 66.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.65 82.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.37 -39.19 78.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.14 -41.91 97.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -69.37 -52.32 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.99 -42.88 81.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.417 ' HG ' ' CD1' ' A' ' 61' ' ' LEU . 73.3 m -59.73 -43.89 94.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -68.21 -33.44 74.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CE1' HD23 ' A' ' 99' ' ' LEU . 2.1 t80 -66.85 -52.99 37.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -66.76 -55.56 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.76 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 8.7 tp -71.84 -45.48 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.778 HG21 HD22 ' A' ' 99' ' ' LEU . 17.8 pt -93.24 23.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 71' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.54 169.71 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.13 156.36 20.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.02 41.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.31 66.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.832 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.63 -5.96 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.88 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.14 -42.26 72.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 37' ' ' ILE . 20.9 pt -84.7 -17.98 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -48.73 -31.61 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -44.05 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 73.3 m-85 -106.28 36.41 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 42.1 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.417 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 7.5 mt-10 64.98 9.11 5.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.61 -57.25 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -56.07 -54.13 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.9 t -52.28 -50.81 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -31.9 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.7 ttp -87.8 -39.97 14.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG12 HD22 ' A' ' 61' ' ' LEU . 1.5 pp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 8' ' ' GLU . 1.7 t -59.16 149.66 66.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.96 -16.52 20.25 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 111.037 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -75.16 -29.74 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HB2' HG23 ' A' ' 5' ' ' THR . 1.9 tm-20 -74.15 -35.68 64.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -55.01 -50.5 68.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.96 -32.13 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -61.77 -29.12 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -94.37 -40.7 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.0 p -91.12 126.2 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.0 m -92.84 32.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 70' ' ' LEU . 2.4 m-85 -90.71 115.9 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 20' ' ' THR . 12.3 tt0 -58.15 -19.41 32.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -45.03 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -70.47 -33.17 52.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -41.68 76.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 16' ' ' GLU . 2.9 p -64.69 -26.91 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' NH1' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -65.7 137.67 96.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.02 152.78 41.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.67 -21.78 65.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.0 -31.23 64.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.8 mt -92.57 -48.25 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 9' ' ' LEU . 12.9 mt -44.08 -43.75 7.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 45.0 pttt -64.77 -52.26 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.8 mt-30 -55.06 -43.42 73.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -67.5 -32.2 72.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 61' ' ' LEU . 23.7 mt -68.66 -35.58 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.89 -32.37 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.5 -42.71 99.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.55 -28.84 66.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.554 ' OG1' HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -63.46 -40.21 96.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.51 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -55.22 8.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.793 HG23 HG21 ' A' ' 108' ' ' ILE . 49.0 mt -58.76 -44.82 91.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 34' ' ' THR . 33.8 mt -59.64 -37.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.42 -26.22 63.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 4.6 mttt -73.02 -42.33 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 m -91.91 -0.21 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.21 43.02 9.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -170.49 147.3 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 109.587 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -115.87 -175.79 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -128.35 101.61 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 m -124.39 25.32 7.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -126.98 108.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.97 -21.59 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 24.97 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.2 t80 -178.78 64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -120.76 78.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.42 20.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -148.1 72.78 11.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -74.99 -179.96 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -32.52 69.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 57' ' ' VAL . 4.6 t -60.5 -54.48 44.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 56' ' ' THR . 69.2 t -61.71 -54.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.34 -42.88 22.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.85 -44.9 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -71.64 -40.74 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.15 -41.59 79.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.81 -49.49 52.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -58.19 -51.83 68.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -58.79 -53.06 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.03 -31.59 70.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 1.2 t80 -71.33 -45.5 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.63 -54.03 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.78 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.9 tp -75.38 -49.88 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.625 HG21 ' CD2' ' A' ' 99' ' ' LEU . 21.0 pt -92.53 30.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.3 172.25 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.91 145.27 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.36 73.72 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 64' ' ' LEU . 3.2 m -118.62 -0.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -59.9 -44.07 94.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.64 -25.71 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 104' ' ' VAL . 81.8 mt -68.76 -53.07 24.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.793 HG21 HG23 ' A' ' 37' ' ' ILE . 17.5 pt -73.97 -21.78 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -52.49 -21.71 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.85 -18.67 65.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 88.2 m-85 -138.81 38.63 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 71.0 6.15 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.72 -57.26 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -48.74 78.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.09 -50.93 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -32.71 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -53.42 4.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CD1' HD23 ' A' ' 61' ' ' LEU . 1.1 pt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -93.44 162.67 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.86 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -32.56 72.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -31.33 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.913 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.09 -44.93 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -66.51 -29.97 70.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -61.49 -37.98 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -89.08 -35.63 16.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -90.41 119.26 30.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -96.01 29.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.8 m-85 -98.03 129.58 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -60.39 -36.27 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -58.3 -36.18 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 9' ' ' LEU . 55.4 t -74.35 -39.31 48.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -66.2 -55.03 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 16' ' ' GLU . 73.4 p -46.16 -43.72 15.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 25' ' ' LEU . 2.1 tpm_? -55.38 126.26 61.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.05 37.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.11 -40.59 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.75 -37.99 63.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 21' ' ' ARG . 36.6 mt -87.59 -50.4 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.913 HD22 ' CD2' ' A' ' 9' ' ' LEU . 10.4 mt -44.79 -39.37 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.84 -54.13 50.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -55.15 -33.21 62.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -76.25 -51.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG23 HD21 ' A' ' 61' ' ' LEU . 22.4 mt -56.16 -34.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.883 ' O ' HG22 ' A' ' 34' ' ' THR . 17.1 mt -76.72 -32.62 57.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mm-40 -67.89 -30.47 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.33 -49.92 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 31' ' ' LEU . 13.3 t -57.0 -25.24 58.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.79 -42.1 67.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.733 HD12 HD12 ' A' ' 61' ' ' LEU . 14.5 mt -60.97 -48.81 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.571 ' HA ' HG22 ' A' ' 41' ' ' VAL . 60.8 mt -61.94 -34.88 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 8.9 mttt -81.38 -45.25 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' HA ' ' A' ' 38' ' ' ILE . 35.0 m -78.85 -12.71 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.34 41.39 87.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 2.9 p80 -171.53 135.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -108.29 107.4 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 46' ' ' SER . 27.4 m-85 -37.59 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 45' ' ' PHE . 2.8 m 33.4 72.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -178.22 111.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.57 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.52 14.35 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 22.2 t80 -166.79 67.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 51' ' ' ILE . 1.7 mt -121.11 75.64 30.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.04 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.3 mp -134.43 69.37 73.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -20.7 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -71.8 -56.96 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.18 -54.57 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -46.19 -43.43 15.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.23 -44.59 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.78 79.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -71.07 -42.67 69.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 58' ' ' ARG . 15.3 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -73.14 -51.33 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -64.81 -34.81 79.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD22 ' A' ' 9' ' ' LEU . 9.0 t -56.87 -38.71 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -75.68 -41.03 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 99' ' ' LEU . 6.0 t80 -52.41 -53.74 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.51 -51.82 32.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.35 -26.68 31.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.6 -48.23 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.4 pt -92.37 29.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 67' ' ' PHE . 8.8 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -115.22 10.73 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER 87.85 143.42 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.0 135.63 19.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -78.75 76.58 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 107' ' ' LEU . 13.7 m -93.4 17.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.7 t80 -63.03 -39.32 94.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.1 -28.65 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.586 HD12 ' HB ' ' A' ' 104' ' ' VAL . 73.0 mt -70.92 -44.88 65.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.956 ' O ' HG23 ' A' ' 112' ' ' VAL . 26.2 pt -84.64 -9.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -60.21 -15.82 27.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -29.21 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 72.9 m-85 -127.04 40.12 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 70.15 6.54 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.96 -53.39 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -16.5 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.67 -47.88 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -27.41 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 129' ' ' ARG . 10.1 ptp -88.71 -37.22 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 128' ' ' MET . 1.1 mpt_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -62.13 161.25 25.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.17 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.99 -34.27 77.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -32.23 60.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 26' ' ' LEU . 3.6 tp -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' SER . 8.1 ptmt -66.6 -32.68 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.1 t -52.16 -42.24 63.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -91.92 -45.51 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -79.19 122.51 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.43 39.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.7 m-30 -102.64 118.35 36.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -51.41 -36.31 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -60.83 -43.21 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD21 ' A' ' 9' ' ' LEU . 93.3 t -73.43 -36.66 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -54.56 21.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' GLU . 21.6 p -51.18 -55.06 19.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.706 HH12 HD13 ' A' ' 25' ' ' LEU . 10.5 mtt-85 -40.1 137.81 1.18 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.11 -42.9 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.83 -34.34 62.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 HH12 ' A' ' 21' ' ' ARG . 24.4 mt -86.17 -50.83 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 9' ' ' LEU . 14.5 mt -43.38 -34.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -64.34 -52.72 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -58.22 -33.83 69.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -76.34 -40.17 52.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mt -61.57 -48.39 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.73 -31.5 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -56.85 -40.9 76.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -72.66 -44.24 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -44.43 -43.83 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.27 76.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.44 -51.93 67.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.8 mt -57.25 -51.65 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 59.8 mt -54.93 -35.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.9 -28.36 64.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 6.3 mttp -73.72 -46.47 45.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' VAL . 7.8 m -75.69 -34.64 29.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.98 35.22 19.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' ILE . 4.6 p80 -171.98 150.0 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -111.45 156.77 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -95.6 74.49 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -53.36 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -52.42 110.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -15.18 59.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.04 13.65 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 16.7 t80 -164.99 67.43 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 51' ' ' ILE . 5.8 mt -126.65 73.3 74.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.27 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -139.91 76.1 28.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -74.96 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -24.96 59.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 p -67.64 -54.14 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.21 -54.99 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -39.89 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.07 -38.62 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.21 99.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.9 mt -62.73 -39.67 94.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -72.71 -52.3 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.11 -44.73 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.5 t -57.42 -51.21 70.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.56 -42.48 91.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 99' ' ' LEU . 8.6 t80 -55.9 -51.24 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -51.47 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.41 -27.77 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 tp -69.47 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -48.47 -34.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 67' ' ' PHE . 11.6 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -112.2 -179.43 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 137.04 87.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.08 150.11 37.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.79 69.67 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -108.45 -15.25 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 109' ' ' LYS . 29.7 t80 -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.97 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -78.8 -17.54 55.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 pt -121.61 7.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.51 -23.43 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -83.91 -38.17 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 9.0 m-85 -98.26 36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 52.9 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 1.1 mt-10 70.38 6.7 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.41 -57.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -56.97 -53.88 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.09 -58.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -32.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.8 mmt -88.95 -57.12 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -86.92 159.09 52.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -74.99 -32.39 5.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 5' ' ' THR . 4.4 t70 -53.27 -29.5 33.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -40.55 48.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD13 ' OG ' ' A' ' 65' ' ' SER . 3.0 tp -53.17 -50.27 64.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.84 -30.55 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 6.2 t -65.22 -31.25 72.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -97.02 -42.16 8.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -73.99 125.47 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.06 31.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 70' ' ' LEU . 9.6 m-85 -106.42 115.86 30.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tp10 -52.36 -30.65 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -61.69 -38.96 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 69' ' ' ALA . 75.6 t -73.35 -44.11 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -59.05 -51.08 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 16' ' ' GLU . 5.8 p -52.66 -49.6 64.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 72' ' ' ASN . 4.8 ttt-85 -46.98 142.48 5.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.5 Cg_endo -74.96 157.6 42.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.13 -32.74 73.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.5 -34.46 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.5 mt -86.41 -44.95 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.9 mt -49.79 -50.6 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -44.68 94.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -54.95 -40.04 69.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -72.33 -44.02 63.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -39.1 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 mt -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -29.87 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -70.01 -36.24 74.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -67.67 -27.41 66.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.69 76.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -76.64 -38.68 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 61' ' ' LEU . 6.2 mt -66.73 -50.45 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.557 HG23 ' C ' ' A' ' 43' ' ' HIS . 70.5 mt -59.33 -35.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.75 -25.74 67.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.618 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -78.8 -46.84 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 111' ' ' TYR . 27.2 m -86.94 5.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.52 41.13 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' C ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -171.46 142.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' HG21 ' A' ' 38' ' ' ILE . 50.1 p30 -119.01 175.49 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.7 89.67 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.73 39.72 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.3 m-20 -143.51 112.43 6.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -52.7 -23.3 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.1 25.53 4.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . 81.4 t80 -174.52 57.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 51' ' ' ILE . 43.2 mt -132.24 71.85 79.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.65 41.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -137.62 79.02 35.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -82.8 -20.3 36.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.08 -56.79 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 111' ' ' TYR . 46.2 t -58.42 -55.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -47.89 -46.11 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.91 -44.57 65.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.16 76.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.98 -41.12 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.16 -42.51 98.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -67.07 -47.13 72.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -62.78 -49.44 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.594 ' OG ' HD13 ' A' ' 9' ' ' LEU . 84.0 p -57.35 -34.97 69.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.32 -40.71 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.63 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.9 t80 -59.3 -55.05 39.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 11.2 m-85 -66.53 -51.24 58.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.53 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.07 -27.5 20.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 15' ' ' PHE . 6.2 tp -76.38 -48.0 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.568 ' CG2' HD22 ' A' ' 99' ' ' LEU . 28.2 pt -93.77 28.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 26.3 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.3 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -99.71 175.42 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 154.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -112.93 48.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 107' ' ' LEU . 7.0 m -95.26 16.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.34 -44.61 67.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.86 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 104' ' ' VAL . 75.4 mt -65.81 -45.55 81.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 40' ' ' LYS . 11.2 pt -79.53 -29.43 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ttpt -50.78 -22.61 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -44.8 76.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 25.6 p90 -128.49 52.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.464 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.08 5.64 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.99 -49.96 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -46.98 71.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.19 -55.28 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.55 -31.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.5 mmt -89.28 -60.04 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.535 HD11 ' CG2' ' A' ' 30' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.531 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -100.04 150.99 37.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -21.31 15.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -30.26 68.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' H ' HG23 ' A' ' 5' ' ' THR . 34.0 mt-10 -75.47 -36.29 60.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 26' ' ' LEU . 4.2 tp -52.53 -50.76 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 19' ' ' LYS . 12.7 pttt -68.35 -36.77 79.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -58.94 -38.99 80.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -83.15 -41.03 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -74.42 149.86 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 m -104.88 -20.62 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.4 m-85 -59.83 127.84 33.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 20' ' ' THR . 3.3 tt0 -65.18 -26.83 68.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 m -61.83 -50.33 72.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' HD21 ' A' ' 26' ' ' LEU . 90.9 t -62.97 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 10' ' ' LYS . 4.3 mttm -66.43 -54.61 22.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 16' ' ' GLU . 24.1 p -52.57 -51.37 60.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' CG ' ' HD2' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -39.39 146.29 0.36 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.01 155.7 42.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -32.3 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.12 -28.09 69.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.9 mt -91.7 -40.06 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 9' ' ' LEU . 51.5 mt -49.91 -51.09 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.42 90.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -38.71 68.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -77.23 -33.36 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 61' ' ' LEU . 8.3 mt -70.5 -51.43 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 34' ' ' THR . 11.7 mt -55.29 -32.35 62.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.85 -29.53 55.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.96 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -62.81 -31.72 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.62 84.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -50.74 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.587 HG23 HG21 ' A' ' 108' ' ' ILE . 15.5 mt -57.63 -38.33 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' A' ' 41' ' ' VAL . 50.3 mt -70.43 -35.1 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -23.11 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -80.94 -46.95 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 38' ' ' ILE . 27.5 m -75.76 -26.06 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.1 40.61 50.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -176.78 137.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -98.22 -174.46 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -124.83 80.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -90.37 -57.37 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.57 113.79 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.809 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -64.26 -14.38 55.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 10.2 tt0 -91.43 16.8 9.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 38.3 t80 -167.26 63.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 48' ' ' ALA . 45.3 mt -132.11 68.41 80.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -127.94 85.34 60.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -75.0 -171.62 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.54 -20.19 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' VAL . 12.3 p -73.24 -56.98 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 54.6 t -56.18 -52.68 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.8 mtp85 -52.26 -46.81 65.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 63' ' ' LYS . 2.4 tp -65.08 -50.77 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -55.85 -41.97 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.05 -47.06 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 58' ' ' ARG . 6.0 mt -62.4 -37.86 87.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HD2' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.0 -52.92 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 m -58.87 -37.49 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.65 -45.4 65.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.8 t80 -58.36 -52.19 66.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.88 -53.83 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.06 42.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.3 tp -69.3 -67.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.642 ' CG2' HD22 ' A' ' 99' ' ' LEU . 3.5 pt -58.5 -44.38 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.642 HD22 ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -100.9 160.64 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -44.16 160.63 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.62 36.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 85.24 7.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.469 HG21 ' HB1' ' A' ' 60' ' ' ALA . 1.2 m -130.27 16.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -41.15 87.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.63 63.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.16 -40.66 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.587 HG21 HG23 ' A' ' 37' ' ' ILE . 11.9 pt -86.76 -16.54 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -53.28 -21.04 4.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -25.47 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 82.0 m-85 -133.19 46.91 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.2 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 87.8 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.55 8.19 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.64 -48.85 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -52.97 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.8 t -48.79 -49.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -29.75 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.02 -47.9 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -123.07 167.1 15.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.05 -33.23 4.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -50.88 -49.35 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 5' ' ' THR . 49.4 mt-10 -62.49 -38.0 88.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.994 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.85 -50.9 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 pttt -69.16 -31.09 69.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.19 -37.06 83.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 4.0 t80 -89.17 -44.4 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -74.87 146.2 42.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 26.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.622 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -92.64 137.64 32.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' THR . 2.4 tt0 -66.72 -37.48 84.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -50.96 70.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 HD11 ' A' ' 9' ' ' LEU . 91.4 t -62.58 -39.83 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -55.01 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' GLU . 30.1 p -53.87 -48.11 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 144.17 5.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.97 28.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.49 -35.57 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.06 -27.74 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.9 mt -89.9 -43.99 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 HD21 ' A' ' 9' ' ' LEU . 21.2 mt -55.04 -47.01 75.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -59.04 -44.26 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.82 -36.62 67.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -48.64 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -53.41 -36.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 34' ' ' THR . 5.1 mt -70.36 -36.79 74.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.12 -25.01 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -72.52 -45.29 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.8 t -60.03 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.55 99.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.26 -49.89 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.69 HG23 HG21 ' A' ' 108' ' ' ILE . 14.1 mt -59.63 -42.48 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.733 HD13 ' CG ' ' A' ' 44' ' ' ASP . 44.5 mt -62.47 -35.31 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -24.09 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 2.8 mttp -75.09 -46.6 33.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 43' ' ' HIS . 28.0 m -81.75 -34.14 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.97 25.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.577 ' H ' HG23 ' A' ' 41' ' ' VAL . 91.5 m-70 -147.71 135.46 21.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.562 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.733 ' CG ' HD13 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -97.86 15.85 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 39.6 79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -100.84 -40.32 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 118.12 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -62.39 -15.06 46.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -94.8 15.88 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 29.0 t80 -164.57 61.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 51' ' ' ILE . 34.7 mt -134.61 66.37 69.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.33 31.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -139.08 73.38 38.43 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -40.11 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 t -55.25 -43.07 74.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.24 -52.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -51.99 -37.5 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.46 -47.04 52.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.13 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -70.05 -41.89 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.99 -45.25 83.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.22 -47.71 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -43.74 96.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.532 ' OG ' HD22 ' A' ' 9' ' ' LEU . 46.8 t -57.7 -44.64 86.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -71.39 -38.12 71.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.56 -49.14 76.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -72.89 -52.73 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.69 -26.82 15.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.6 tp -70.64 -42.18 71.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.532 ' CG2' HD22 ' A' ' 99' ' ' LEU . 1.9 pt -97.96 22.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.532 HD22 ' CG2' ' A' ' 71' ' ' ILE . 6.2 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -91.69 154.17 19.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NZ ' ' A' ' 40' ' ' LYS . 6.4 mttt -40.84 150.24 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 154.01 41.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -78.06 68.31 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.41 -11.69 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -51.61 -33.29 32.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -29.64 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.28 -49.46 49.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.8 pt -72.97 -14.43 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -31.27 64.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -13.8 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 74.3 m-85 -140.88 41.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.1 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.51 1.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.84 -56.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -36.72 80.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.96 -50.77 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -38.71 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.38 -62.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 p -47.47 160.06 0.39 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.05 -28.9 8.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -35.06 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.94 -33.75 74.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.024 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.17 -51.03 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.3 pttm -70.29 -30.69 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.9 t -64.1 -27.07 68.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.483 ' OH ' ' CD1' ' A' ' 59' ' ' LEU . 5.7 t80 -98.92 -43.21 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 p -79.65 132.01 36.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.2 m -95.8 41.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 4.7 m-85 -111.01 126.6 54.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.938 ' O ' HG23 ' A' ' 20' ' ' THR . 3.9 tp10 -67.98 -35.72 78.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -59.92 -37.33 79.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.39 -33.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -69.81 -54.14 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 16' ' ' GLU . 60.1 p -48.03 -46.92 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.09 150.19 1.47 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.62 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.94 -26.69 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.63 -28.93 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.1 mt -88.55 -46.56 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.024 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.5 mt -48.71 -50.81 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 25.4 pttt -57.57 -41.93 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 33.0 mt-30 -60.49 -44.39 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.07 -45.31 81.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' A' ' 6' ' ' PRO . 70.8 mt -50.15 -31.48 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.856 ' O ' HG22 ' A' ' 34' ' ' THR . 12.4 mt -78.0 -35.46 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.856 HG22 ' O ' ' A' ' 31' ' ' LEU . 6.7 t -61.4 -24.07 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.65 89.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.48 -49.92 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.988 HD12 HD12 ' A' ' 61' ' ' LEU . 4.2 mt -58.36 -34.97 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 43' ' ' HIS . 40.2 mt -72.2 -38.52 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -31.35 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -65.64 -47.08 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.42 -23.94 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.38 39.35 36.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG23 ' A' ' 38' ' ' ILE . 6.2 p80 -171.17 145.52 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.24 162.96 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -99.55 72.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -62.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.0 110.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -63.32 -16.27 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.69 11.76 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.4 t80 -162.99 67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 48' ' ' ALA . 62.6 mt -134.06 64.15 64.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 147.17 33.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.786 ' CD2' HG23 ' A' ' 4' ' ' ILE . 2.3 tp -123.98 82.52 55.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.17 27.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.57 -38.26 90.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -55.59 -54.38 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 108' ' ' ILE . 54.4 t -63.24 -52.88 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 4' ' ' ILE . 3.5 ttp180 -47.46 -47.73 27.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' ' OH ' ' A' ' 12' ' ' TYR . 6.4 tp -61.6 -45.43 94.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.77 -41.4 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.988 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -67.14 -43.23 82.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -63.51 -42.25 98.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -67.12 -50.78 60.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -61.93 -43.67 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.1 t -56.96 -43.16 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.608 ' NE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 tt0 -70.08 -46.16 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.64 -50.8 64.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.7 m-85 -70.74 -52.94 17.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.29 -26.92 31.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' A' ' 15' ' ' PHE . 8.6 tp -71.09 -69.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.8 pt -60.42 -16.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' TYR . 19.3 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.78 156.1 17.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 9.8 mttt -43.97 143.35 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.01 144.79 30.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.56 72.59 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' CD1' ' A' ' 64' ' ' LEU . 33.5 m -96.15 13.2 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' LYS . 14.6 t80 -70.12 -33.3 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.59 -25.68 65.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -44.25 48.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.829 HG21 ' CG2' ' A' ' 37' ' ' ILE . 1.3 pt -93.7 7.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 105' ' ' TYR . 11.4 tttp -64.39 -19.9 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.14 -46.02 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -77.99 -32.77 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 108' ' ' ILE . 6.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 65.56 9.25 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.57 -42.32 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -51.47 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.23 -54.41 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -42.26 -32.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -61.98 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.453 ' CG1' HG21 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 8' ' ' GLU . 8.9 t -100.02 146.26 31.61 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.95 -10.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.59 -30.91 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.504 ' H ' HG23 ' A' ' 5' ' ' THR . 4.3 mm-40 -77.27 -35.66 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.98 -50.89 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -66.93 -30.98 71.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.3 t -64.08 -31.43 72.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -96.01 -25.34 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -92.16 141.08 28.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.3 24.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 70' ' ' LEU . 1.1 m-85 -99.22 125.48 44.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' THR . 2.8 tt0 -59.5 -33.76 71.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.67 -42.54 97.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.09 -36.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -53.87 30.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 16' ' ' GLU . 16.3 p -55.78 -49.12 74.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 72' ' ' ASN . 1.1 ttt85 -40.58 135.97 1.49 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 167.37 27.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.77 -36.04 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.1 -34.77 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD12 ' CG ' ' A' ' 22' ' ' PRO . 41.9 mt -86.1 -44.96 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 9' ' ' LEU . 21.5 mt -54.51 -41.41 69.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -56.87 -57.24 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -54.94 -37.15 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 22.3 t70 -66.63 -42.04 87.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 27' ' ' LYS . 14.9 mt -59.27 -37.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 mt -71.82 -40.33 69.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -61.26 -28.62 69.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.07 61.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -68.36 -24.92 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.28 88.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.71 -44.86 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.747 HG23 HG21 ' A' ' 108' ' ' ILE . 36.9 mt -58.88 -42.4 85.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' HIS . 86.4 mt -64.58 -40.07 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.44 -25.08 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' CB ' HD11 ' A' ' 108' ' ' ILE . 8.9 mtpt -76.79 -45.62 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' ILE . 14.0 m -89.77 8.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.64 43.81 1.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' ILE . 3.4 p80 -170.42 144.38 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.641 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.74 156.18 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.7 84.74 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 -56.49 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.68 107.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.85 -19.31 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 12.35 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 48.9 t80 -163.81 67.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 51' ' ' ILE . 7.3 mt -123.76 76.59 56.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -142.94 76.22 17.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.02 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -19.52 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.405 ' HA ' HD22 ' A' ' 107' ' ' LEU . 10.9 p -73.98 -46.82 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 54' ' ' PRO . 88.4 t -66.01 -55.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -51.31 -43.76 61.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 tp -73.2 -38.04 66.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.97 -43.76 97.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -74.25 -37.95 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.56 -37.89 87.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -73.57 -52.63 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.67 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.02 -50.26 74.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 80.6 p -56.43 -40.32 74.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -67.29 -30.75 70.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.62 ' CE1' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.44 -47.63 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -26.65 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -64.91 -53.91 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 pt -75.28 -42.61 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' A' ' 21' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.732 HD13 ' H ' ' A' ' 100' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -125.23 -172.7 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 133.17 9.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.99 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.44 77.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 64' ' ' LEU . 15.1 m -91.38 21.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' LYS . 1.9 t80 -70.62 -42.79 70.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.22 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 56' ' ' THR . 84.2 mt -70.91 -47.82 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.747 HG21 HG23 ' A' ' 37' ' ' ILE . 4.9 pt -89.52 -0.35 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -61.52 -31.86 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.63 -7.59 54.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -134.01 23.42 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 67.85 8.35 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.15 -33.69 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.35 -18.48 45.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.25 -55.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -20.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 ttp -87.23 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.795 HG23 HD23 ' A' ' 53' ' ' LEU . 1.6 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -111.79 150.02 41.66 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.97 -20.02 17.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -68.47 -30.78 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.484 ' H ' HG23 ' A' ' 5' ' ' THR . 13.7 mm-40 -77.04 -35.51 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.673 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.96 -48.9 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -32.59 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.04 -41.9 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.2 t -81.13 126.0 30.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 14' ' ' VAL . 17.4 m -97.72 42.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.612 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -115.66 126.66 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.78 -16.2 62.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 20' ' ' THR . 66.7 m -70.39 -41.25 73.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 69' ' ' ALA . 59.1 t -75.33 -33.21 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -55.32 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 17' ' ' SER . 10.9 t -51.99 -21.31 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -73.67 141.58 79.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.68 -25.54 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -70.12 -29.8 66.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 25' ' ' LEU . 27.7 mt -92.17 -46.72 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 HD21 ' A' ' 9' ' ' LEU . 13.3 mt -43.26 -44.78 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -63.99 -53.47 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.14 -41.46 68.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.26 -31.27 71.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.669 HG23 HD23 ' A' ' 61' ' ' LEU . 22.6 mt -69.73 -50.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 31' ' ' LEU . 6.2 mt -62.39 -33.05 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -33.07 71.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -77.23 -33.94 56.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -41.45 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.79 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.89 -55.39 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.01 HD12 HD12 ' A' ' 61' ' ' LEU . 5.5 mt -57.92 -43.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.53 -35.39 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.54 -41.68 62.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 47.9 mttm -58.04 -44.87 87.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' HB ' ' NE2' ' A' ' 43' ' ' HIS . 26.7 m -75.0 -21.79 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 41.14 73.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 33.2 p80 -176.04 136.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.63 165.22 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' SER . 39.5 m-85 -98.75 -65.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' PHE . 27.0 m 36.45 64.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.517 ' H ' HD11 ' A' ' 51' ' ' ILE . 3.1 m-20 -168.31 114.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.52 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -107.54 19.64 19.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 27.3 t80 -167.6 54.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.2 mt -132.65 66.18 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.51 12.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.795 HD23 HG23 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -122.59 77.14 46.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.06 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.4 p -52.45 -57.7 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.367 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 -55.52 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -47.41 -44.89 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.3 -42.78 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.96 -42.61 99.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.01 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -70.55 -39.05 74.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.68 -45.06 93.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -68.42 -48.52 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -58.92 -47.54 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 m -56.78 -37.82 71.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.93 -35.73 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' HE1' HD23 ' A' ' 99' ' ' LEU . 7.3 t80 -63.18 -45.84 89.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -54.0 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.73 -26.86 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.09 -51.06 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.878 HG21 HD22 ' A' ' 99' ' ' LEU . 14.0 pt -91.93 30.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.878 HD22 HG21 ' A' ' 71' ' ' ILE . 3.0 tt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -100.84 -174.87 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.6 mptt -54.74 158.16 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.02 80.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 6.5 m -116.61 20.19 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.19 -36.82 80.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.23 66.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.14 -52.99 12.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.7 pt -70.52 -22.0 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -51.04 -22.26 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 47.0 t0 -58.21 -51.19 70.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 110' ' ' ASP . 1.0 OUTLIER -119.73 50.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.468 HG22 ' HG3' ' A' ' 123' ' ' GLU . 2.1 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.6 mt-10 72.26 5.03 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -52.94 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -52.57 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 67.5 t -50.51 -53.79 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -32.86 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -83.4 -61.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 61' ' ' LEU . 6.6 pt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.795 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -116.36 167.9 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.01 -33.95 4.18 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.795 ' H ' HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -53.21 -50.62 64.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.526 ' H ' HG22 ' A' ' 5' ' ' THR . 48.8 mt-10 -67.93 -38.86 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 26' ' ' LEU . 21.5 tp -52.59 -51.07 61.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -33.03 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -67.11 -33.49 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -90.81 -49.01 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -77.37 128.14 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -103.32 19.56 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.78 117.06 25.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 20' ' ' THR . 14.4 tt0 -49.33 -24.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -71.44 -39.04 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 9' ' ' LEU . 61.5 t -75.86 -32.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -68.21 -55.43 12.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 16' ' ' GLU . 2.8 t -58.43 -37.55 75.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.791 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.53 131.58 2.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.597 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.96 142.01 27.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.64 -34.63 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.26 -28.34 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 21' ' ' ARG . 24.5 mt -89.69 -52.53 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 9' ' ' LEU . 21.3 mt -46.0 -45.34 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -56.25 18.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -58.6 -41.48 85.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.75 -47.98 82.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.63 -50.35 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.99 -40.65 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -55.0 -33.42 62.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.436 HG23 HD12 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -47.21 -48.88 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.82 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.1 -55.46 16.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.856 HG23 HG21 ' A' ' 108' ' ' ILE . 5.4 mt -61.84 -33.39 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 14.9 mt -73.18 -35.45 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.54 -22.99 61.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -75.58 -43.99 45.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 111' ' ' TYR . 32.3 m -84.6 -24.29 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 67.62 38.98 90.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 99.5 m-70 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -92.18 159.27 15.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 102.01 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.2 -41.49 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.47 119.45 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.97 -16.51 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -87.17 9.77 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 49.3 t80 -161.8 65.32 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 51' ' ' ILE . 59.0 mt -138.72 64.48 36.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 151.86 39.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tp -137.64 76.34 42.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.34 33.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.18 -39.09 81.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 t -54.19 -44.96 72.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.66 -54.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -48.03 -38.81 18.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.5 -49.61 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.27 -46.16 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -69.34 -43.43 73.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.84 -36.77 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -72.94 -51.68 17.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.58 -47.72 81.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.41 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -60.34 -49.56 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.69 -32.53 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 99' ' ' LEU . 5.3 t80 -70.29 -51.57 29.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -49.69 61.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.59 -27.28 38.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.39 -46.1 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.6 pt -93.07 29.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.487 HD23 ' CE1' ' A' ' 67' ' ' PHE . 4.1 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.17 170.4 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.09 143.43 53.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.01 34.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.31 75.79 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.26 10.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.77 -34.54 78.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.29 -24.79 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.14 -43.4 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.856 HG21 HG23 ' A' ' 37' ' ' ILE . 34.6 pt -88.62 12.19 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -53.33 -32.05 47.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.74 -44.88 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' HB3' HG11 ' A' ' 41' ' ' VAL . 4.4 m-30 -72.73 -47.2 48.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 108' ' ' ILE . 78.0 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.01 5.74 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.94 -54.6 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -63.85 -53.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -52.66 -51.03 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -47.44 -29.68 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 ttp -92.65 -48.9 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 61' ' ' LEU . 2.2 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -99.77 158.58 31.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -17.41 19.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -34.23 65.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.72 -37.48 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD21 HD22 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -56.15 -49.98 72.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.33 -31.41 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.9 t -59.95 -41.82 92.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -87.28 -48.6 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -65.56 118.81 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.1 m -92.07 38.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.58 114.95 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.04 -28.12 16.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 20' ' ' THR . 14.8 m -64.32 -38.88 92.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.19 -32.97 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -67.92 -55.24 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 17' ' ' SER . 9.3 t -54.69 -44.3 73.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -45.77 133.49 6.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.28 42.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -66.62 -35.42 80.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.14 -32.14 70.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 26.0 mt -90.06 -43.74 10.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD22 HD21 ' A' ' 9' ' ' LEU . 26.8 mt -52.67 -41.83 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -56.64 -61.19 2.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.26 -32.65 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 12.6 m-20 -73.42 -41.25 63.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 61' ' ' LEU . 21.2 mt -60.88 -50.19 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.55 -30.57 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.21 75.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.49 -45.98 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.507 ' N ' HD21 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -57.97 -39.0 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.97 -33.98 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.59 -48.43 32.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 61' ' ' LEU . 41.9 mt -61.91 -36.35 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.27 -35.18 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.1 -22.85 61.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -75.34 -47.03 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 112' ' ' VAL . 26.9 m -78.5 -32.03 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 78.32 36.17 31.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 91.5 m-70 -160.08 143.26 13.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 0.78 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -113.94 142.98 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.41 104.04 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -129.79 39.87 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.14 109.94 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -53.93 -20.44 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 26.01 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.1 t80 179.17 61.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 51' ' ' ILE . 18.3 mt -125.8 76.85 70.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.08 32.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.436 1.756 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tp -169.46 72.54 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.95 -176.57 2.93 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -38.77 81.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.428 ' H ' HG23 ' A' ' 56' ' ' THR . 43.0 p -54.05 -48.7 70.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.94 -51.62 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -38.18 65.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.78 -48.4 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -57.56 -42.9 83.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -70.14 -40.48 74.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 10.7 mt -63.5 -39.3 94.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -70.84 -52.55 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -60.2 -47.77 84.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 21.0 t -57.92 -40.9 81.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.143 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.41 -41.8 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 99' ' ' LEU . 22.4 t80 -55.24 -57.15 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 -46.58 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.0 -30.94 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.77 -48.97 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.596 ' CG2' HD22 ' A' ' 99' ' ' LEU . 11.2 pt -92.78 27.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CG2' ' A' ' 71' ' ' ILE . 2.2 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.97 162.15 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 11.7 mttm -41.06 147.53 0.42 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.03 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.11 72.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.442 HG21 ' HB1' ' A' ' 60' ' ' ALA . 2.4 m -110.4 23.34 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.6 t80 -69.28 -44.9 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.93 -25.64 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.39 -44.39 65.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 37' ' ' ILE . 20.8 pt -83.67 -19.37 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 105' ' ' TYR . 10.3 ttpt -56.26 -20.4 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -62.89 -43.63 98.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -122.05 42.43 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.767 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 69.12 7.48 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.11 -56.35 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -57.26 -49.79 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.61 -52.34 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -27.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.1 mmt -91.47 -52.64 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -120.17 166.26 15.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -32.57 5.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.776 ' H ' HG23 ' A' ' 5' ' ' THR . 59.5 m-20 -50.3 -34.13 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.5 -36.75 52.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 26' ' ' LEU . 10.5 tp -52.83 -48.92 66.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.94 -32.69 71.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -61.35 -38.7 87.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 12.4 t80 -86.34 -44.1 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -83.03 122.59 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -95.04 26.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -93.76 133.09 37.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.38 -34.25 76.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 m -58.8 -43.4 90.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.611 HG22 ' CB ' ' A' ' 69' ' ' ALA . 57.7 t -67.12 -40.69 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -53.24 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -56.94 -20.05 21.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.25 134.47 80.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.84 43.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.92 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.29 -42.53 77.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.87 -43.88 34.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 9' ' ' LEU . 15.6 mt -55.68 -40.41 72.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -58.59 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -55.38 -28.99 57.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -76.91 -51.95 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -50.9 -50.76 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.6 mt -59.86 -33.04 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -37.95 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -75.89 -35.72 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -53.55 -36.82 62.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.2 74.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -56.83 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.578 HD12 HD23 ' A' ' 61' ' ' LEU . 35.3 mt -57.9 -50.37 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.0 -36.18 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.23 -29.81 60.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HB3' HD12 ' A' ' 108' ' ' ILE . 10.6 mttm -70.02 -46.23 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.49 -29.85 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.07 41.6 31.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -176.01 127.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.596 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.81 177.79 5.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.95 84.25 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 -49.43 5.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 113.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.57 -18.09 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.41 11.35 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 43.4 t80 -162.67 67.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.4 mt -129.89 70.19 81.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.14 41.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -153.85 77.78 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.822 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -81.64 -31.69 32.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -62.74 -55.58 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 54' ' ' PRO . 81.1 t -58.13 -54.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 62' ' ' LEU . 5.3 mtp180 -54.42 -36.13 63.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.02 -48.03 39.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.87 -41.5 82.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.9 -42.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.3 mt -58.59 -44.45 89.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -65.01 -50.14 67.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 4.1 mt -58.15 -44.55 87.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -59.25 -36.54 75.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -77.04 -40.76 45.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CD2' HD21 ' A' ' 99' ' ' LEU . 7.6 t80 -52.99 -56.22 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.95 -49.75 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.611 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -55.37 -27.0 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 11.2 tp -75.88 -49.03 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.0 pt -92.62 29.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.38 118.34 24.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.65 117.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.33 8.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.4 69.4 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 10.4 m -119.26 15.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -43.43 70.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.77 -25.05 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -52.07 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 112' ' ' VAL . 19.2 pt -75.2 -21.59 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -49.03 -23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -37.95 85.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.2 m-85 -119.33 45.32 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.24 3.81 4.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.9 -56.87 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -48.29 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.5 -43.58 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -31.21 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -35.95 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -107.36 163.64 16.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.06 18.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -31.53 49.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.73 -30.97 56.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.3 -50.89 71.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 3.0 pttt -67.76 -31.63 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -52.84 -40.77 63.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -91.42 -47.09 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.1 t -59.13 145.38 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -119.47 30.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -107.76 116.89 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -52.18 -29.04 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -62.97 -42.51 99.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.22 -40.58 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -63.91 -46.6 84.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.833 HG23 ' O ' ' A' ' 16' ' ' GLU . 22.4 p -61.09 -54.74 40.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 145.03 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 158.79 42.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -64.09 -46.32 84.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.74 -48.12 63.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.7 -43.8 83.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 HD23 ' A' ' 9' ' ' LEU . 14.4 mt -54.09 -42.93 69.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -54.95 41.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -54.95 -35.86 64.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.0 -51.06 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.5 -50.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.25 -32.4 72.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.64 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.69 -30.11 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.594 ' HA ' HD21 ' A' ' 61' ' ' LEU . 5.3 m -58.84 -37.29 76.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.433 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.11 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -54.99 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -61.79 -43.62 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 34' ' ' THR . 32.7 mt -58.47 -40.61 79.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.58 -26.72 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 108' ' ' ILE . 1.1 mttt -75.43 -46.95 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 111' ' ' TYR . 28.2 m -84.79 1.41 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.76 40.49 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 5.3 p80 -174.42 143.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.773 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -112.64 -179.14 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.66 90.98 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -101.68 -59.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -42.03 107.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 -20.9 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.38 21.55 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.0 t80 -173.4 63.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 51' ' ' ILE . 12.6 mt -123.54 76.41 54.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tp -144.02 79.42 13.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.13 -18.53 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 p -73.5 -48.55 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 24.9 t -62.85 -54.79 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 62' ' ' LEU . 8.3 mtm180 -52.39 -45.72 65.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.48 -50.97 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -53.09 -44.69 67.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -71.26 -41.63 69.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.9 mt -57.49 -41.51 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -70.96 -52.45 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -55.11 -52.86 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' OG ' HD13 ' A' ' 9' ' ' LEU . 96.0 p -56.95 -53.18 60.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.34 -42.59 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 99' ' ' LEU . 1.5 t80 -58.68 -47.85 83.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.89 -55.76 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.97 -30.42 34.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.8 tp -61.52 -71.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.578 ' CG2' HD22 ' A' ' 99' ' ' LEU . 2.8 pt -54.9 -38.39 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.6 tp . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.499 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 1.8 pm0 -102.93 149.64 24.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.88 157.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.21 33.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.94 86.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 14.0 m -126.0 20.07 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.66 -44.72 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.11 65.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.09 -29.19 68.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.976 ' O ' HG23 ' A' ' 112' ' ' VAL . 24.6 pt -98.27 -14.74 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -68.57 -9.07 47.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.17 -36.27 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.822 ' CE2' HG11 ' A' ' 41' ' ' VAL . 28.6 p90 -132.39 47.97 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.38 6.35 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -57.28 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -36.36 79.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.63 -36.4 76.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -74.29 -20.73 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.0 mmt -93.09 -59.37 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.75 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -124.69 167.64 15.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -34.13 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.75 ' H ' HG23 ' A' ' 5' ' ' THR . 1.1 m-20 -51.29 -51.05 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.485 ' H ' HG22 ' A' ' 5' ' ' THR . 2.2 mm-40 -60.01 -40.3 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -52.73 -51.02 62.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.94 -29.02 66.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.7 t -65.98 -34.01 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -87.2 -45.79 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -72.06 139.57 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -107.42 31.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -106.98 129.23 54.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 20' ' ' THR . 6.4 pt-20 -63.12 -24.35 67.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -66.02 -47.75 73.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.573 ' O ' HD11 ' A' ' 26' ' ' LEU . 59.3 t -67.05 -33.1 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -71.32 -40.57 70.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 16' ' ' GLU . 3.9 p -67.34 -50.78 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.66 146.3 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.59 39.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.49 -27.14 65.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -30.85 70.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 25' ' ' LEU . 26.2 mt -90.43 -48.62 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 HD21 ' A' ' 9' ' ' LEU . 14.2 mt -44.37 -45.96 9.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.25 -47.25 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.15 -43.35 74.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.68 -39.21 67.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.549 HD11 HD22 ' A' ' 9' ' ' LEU . 29.8 mt -60.13 -33.0 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 34' ' ' THR . 3.4 mt -74.22 -31.62 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -31.52 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -67.02 -26.12 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -76.36 -30.17 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.5 80.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.15 -52.01 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.482 HD12 HD22 ' A' ' 61' ' ' LEU . 10.3 mt -57.79 -36.1 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 34' ' ' THR . 20.2 mt -74.65 -36.46 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.4 -23.96 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -77.25 -46.8 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' VAL . 33.1 m -82.92 3.53 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.61 40.4 2.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -171.39 141.84 1.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.591 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -113.46 167.18 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -100.22 88.22 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -92.68 -73.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -40.43 113.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.31 -15.13 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 14.79 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 27.7 t80 -165.11 65.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 51' ' ' ILE . 23.1 mt -127.6 72.67 78.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.15 17.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 58' ' ' ARG . 2.4 tp -122.21 79.63 44.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.05 162.44 37.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.66 -17.47 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -74.84 -55.8 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 55.6 t -55.44 -53.06 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' HD2' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.57 -45.7 70.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.45 -50.55 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.78 69.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD22 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -73.31 -38.98 65.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.5 -37.19 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -72.59 -47.34 48.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -63.21 -46.02 88.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 9' ' ' LEU . 31.0 t -58.72 -44.41 90.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.2 -43.91 85.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -56.21 -56.25 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -66.3 -50.01 65.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.3 -29.46 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.1 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -58.03 -45.22 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.12 175.64 5.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.61 153.71 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -177.07 3.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.564 1.823 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.7 66.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.615 ' HB ' HD12 ' A' ' 107' ' ' LEU . 2.4 m -106.12 18.92 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.82 66.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 104' ' ' VAL . 87.4 mt -67.03 -38.52 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.739 HG22 ' OH ' ' A' ' 111' ' ' TYR . 47.2 pt -87.25 -27.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -53.48 -20.96 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.02 -41.19 74.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 57' ' ' VAL . 41.8 p90 -125.92 40.24 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 65.5 8.23 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.7 -55.76 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -53.48 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.94 -50.86 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -29.74 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.6 mmt -95.1 -47.32 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.678 HG23 HD21 ' A' ' 53' ' ' LEU . 6.3 pt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -129.82 163.17 48.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -25.86 11.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -30.86 68.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.94 -39.35 61.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.6 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.89 -48.43 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.9 -29.44 66.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.79 -29.22 70.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -97.28 -44.31 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p -75.45 137.56 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -106.51 24.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.0 129.4 43.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.949 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tt0 -66.08 -31.77 72.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 t -58.38 -36.09 72.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.4 t -75.14 -44.45 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -55.43 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 16' ' ' GLU . 74.4 p -46.8 -58.14 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.0 143.81 0.46 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.65 34.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -69.84 -38.81 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -60.32 -27.4 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD23 HE21 ' A' ' 28' ' ' GLN . 16.8 mt -92.92 -49.5 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.8 mt -43.68 -42.93 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -45.5 84.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 HE21 HD23 ' A' ' 25' ' ' LEU . 7.3 mt-30 -54.96 -46.12 74.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 69' ' ' ALA . 51.2 t0 -65.68 -33.36 75.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 6' ' ' PRO . 50.5 mt -68.71 -51.18 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' HG22 ' A' ' 34' ' ' THR . 41.1 mt -59.28 -32.98 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -31.73 68.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.19 -44.87 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.468 ' OG1' HD11 ' A' ' 61' ' ' LEU . 1.1 t -69.74 -24.38 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.45 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.87 -50.12 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.773 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.7 mt -57.0 -32.75 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.648 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 15.5 mt -64.0 -38.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -32.13 55.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 23.7 mttm -66.32 -45.86 78.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 37' ' ' ILE . 35.7 m -84.92 -24.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.21 19.68 68.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' VAL . 88.8 m-70 -132.14 128.15 37.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PHE . 1.4 p30 -94.01 14.53 19.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER 35.67 92.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.725 ' C ' HD11 ' A' ' 51' ' ' ILE . 23.2 t -117.75 -59.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -38.13 122.43 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.21 54.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -168.79 -36.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 54.3 t80 -103.69 39.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.725 HD11 ' C ' ' A' ' 46' ' ' SER . 96.4 mt -119.03 68.93 9.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -75.01 147.78 34.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.437 1.756 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.678 HD21 HG23 ' A' ' 4' ' ' ILE . 2.7 tp -132.77 80.14 62.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.0 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -79.1 -30.91 44.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -61.32 -53.5 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -60.8 -52.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -53.58 -42.28 67.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.95 -42.2 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.838 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -64.88 -41.51 95.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD11 ' OG1' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.3 -44.34 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.88 -44.45 82.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -66.29 -49.29 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -58.74 -48.38 81.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.03 -39.38 93.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.81 -56.06 26.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.1 -48.48 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' OD2' ' A' ' 29' ' ' ASP . . . -54.21 -27.77 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -76.27 -48.5 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.2 pt -92.79 28.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -103.35 163.82 12.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.47 146.59 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.85 53.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.838 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -92.98 5.45 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 109' ' ' LYS . 40.7 t80 -54.4 -35.21 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.01 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.68 HD12 ' HB ' ' A' ' 104' ' ' VAL . 88.6 mt -70.93 -26.02 63.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.665 HG21 HG23 ' A' ' 37' ' ' ILE . 18.4 pt -106.84 -10.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . 37.6 tptt -60.69 -15.28 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.37 -47.86 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 4.0 m-30 -89.89 -1.52 58.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.65 4.77 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.92 -56.39 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -57.95 -48.19 80.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.23 -53.7 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -33.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.85 -55.53 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 pt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 p -137.76 163.92 44.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.76 11.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.16 -33.07 69.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.44 -38.54 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CD2' HD22 ' A' ' 26' ' ' LEU . 2.0 tp -56.1 -50.18 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -34.34 72.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -59.56 -28.2 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.525 ' CD2' HD22 ' A' ' 62' ' ' LEU . 16.9 t80 -99.53 -47.02 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -75.14 121.86 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.77 36.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 70' ' ' LEU . 3.0 m-85 -100.09 130.19 46.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.43 -37.43 85.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -61.5 -50.26 73.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 69' ' ' ALA . 97.2 t -65.04 -35.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -55.01 28.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 p -57.13 -46.93 82.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 134.47 1.02 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.48 41.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.2 -40.91 82.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.83 -32.07 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.4 mt -88.21 -44.58 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CD2' ' A' ' 9' ' ' LEU . 16.7 mt -51.7 -43.44 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.19 -57.73 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -55.99 -32.91 64.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -73.99 -37.42 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.1 mt -74.76 -39.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 34' ' ' THR . 6.4 mt -62.72 -48.97 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.72 -36.74 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.7 76.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.77 -27.96 64.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.52 81.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.88 -47.49 83.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 HD13 ' A' ' 108' ' ' ILE . 6.7 mt -62.14 -40.45 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 mt -66.83 -38.27 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.34 -26.22 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -77.99 -45.31 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 HD12 ' A' ' 108' ' ' ILE . 10.9 m -88.03 -1.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 43.34 42.03 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.15 147.35 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 0.777 . . . . 0.0 109.605 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -102.41 155.21 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.45 41.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -108.36 62.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -132.17 110.95 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -28.22 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.7 pt-20 -98.15 45.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' C ' ' A' ' 51' ' ' ILE . 1.1 t80 -178.94 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.792 HG22 ' O ' ' A' ' 51' ' ' ILE . 28.7 mt 25.58 62.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -74.98 133.39 16.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tp -167.72 72.46 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 Cg_endo -75.05 164.11 33.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.99 -23.63 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.9 p -67.99 -53.45 25.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 108' ' ' ILE . 46.8 t -62.0 -53.77 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -47.65 -42.56 24.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -73.09 -39.78 65.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -62.26 -43.51 98.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -73.29 -39.91 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 58' ' ' ARG . 8.9 mt -60.94 -40.67 94.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -71.76 -49.99 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.2 -43.11 87.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 7.9 t -68.82 -46.39 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.65 -32.37 73.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 100' ' ' GLN . 2.9 t80 -71.84 -52.57 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -70.61 -45.66 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -59.27 -27.21 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.6 tp -68.33 -70.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 pt -58.64 -37.37 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 10.7 m-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.3 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.516 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.5 pm0 -111.42 170.41 8.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.1 mttp -50.37 141.46 16.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.0 155.51 42.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.16 76.03 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.628 ' HB ' HD12 ' A' ' 107' ' ' LEU . 12.9 m -104.9 22.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' LYS . 81.9 t80 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.72 -27.79 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 104' ' ' VAL . 86.9 mt -68.9 -41.39 78.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.815 ' O ' HG23 ' A' ' 112' ' ' VAL . 14.6 pt -101.88 13.93 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.36 -27.21 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.29 -22.31 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 1.3 m-85 -110.02 25.1 12.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 122' ' ' ILE . 0.7 OUTLIER 59.1 12.11 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.49 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -61.04 -50.81 71.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.71 -51.13 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.94 -31.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 mtm -95.33 -43.45 8.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.546 HD11 ' CG2' ' A' ' 30' ' ' ILE . 1.5 pt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -103.23 161.34 23.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.98 -24.14 13.15 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.08 -37.69 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.5 -37.7 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -56.03 -48.78 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.77 84.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -50.81 -30.77 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -95.81 -38.2 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -83.78 121.57 27.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.71 43.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -120.16 118.12 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.924 ' O ' HG23 ' A' ' 20' ' ' THR . 5.9 pt-20 -56.12 -22.3 27.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 p -61.85 -45.12 95.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 9' ' ' LEU . 61.9 t -71.26 -34.88 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -63.62 -54.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 16' ' ' GLU . 50.7 p -49.18 -60.77 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -41.59 136.12 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 5.2 p-10 -75.71 -40.34 55.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -57.6 -33.02 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 25' ' ' LEU . 18.5 mt -85.23 -52.35 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 9' ' ' LEU . 50.0 mt -46.75 -43.69 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.88 -53.6 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.01 -52.66 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.546 ' CG2' HD11 ' A' ' 4' ' ' ILE . 38.4 mt -51.25 -48.91 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' THR . 6.9 mt -56.71 -36.11 69.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -71.37 -30.95 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.89 -48.43 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -56.86 -36.88 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.63 25.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -73.02 -53.98 9.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.935 HG23 HG21 ' A' ' 108' ' ' ILE . 28.4 mt -56.92 -36.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -68.35 -35.04 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.24 -28.46 62.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CB ' ' CD1' ' A' ' 108' ' ' ILE . 1.5 mttp -72.51 -44.56 62.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 112' ' ' VAL . 11.8 m -86.55 1.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.85 36.5 3.68 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -164.15 145.97 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.47 163.52 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.38 94.74 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -65.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.18 113.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.42 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.77 9.67 15.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 46.2 t80 -157.71 65.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.763 HG22 ' O ' ' A' ' 51' ' ' ILE . 36.0 mt -133.41 66.1 73.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.76 26.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD21 ' CG2' ' A' ' 4' ' ' ILE . 4.1 tp -135.04 81.56 44.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.03 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.29 -32.88 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -61.09 -47.51 85.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.23 -51.1 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -38.94 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.59 -47.22 73.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.97 -42.65 85.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -71.03 -44.18 66.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.6 mt -60.63 -36.9 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.03 -49.33 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 13.4 mt -61.62 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.416 ' OG ' ' CD1' ' A' ' 61' ' ' LEU . 57.8 m -57.06 -53.15 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 15.6 tt0 -61.01 -38.03 84.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -64.0 -43.07 96.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' LEU . 27.8 m-85 -72.3 -57.22 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' A' ' 18' ' ' VAL . . . -55.39 -31.96 62.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 15' ' ' PHE . 6.1 tp -59.34 -66.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.509 ' CG2' HD22 ' A' ' 99' ' ' LEU . 11.3 pt -57.74 -48.58 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 5.4 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD22 ' CG2' ' A' ' 71' ' ' ILE . 6.1 tp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -104.14 179.46 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -54.04 142.31 46.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.02 146.0 32.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.26 67.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -108.51 -14.97 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -49.91 -36.65 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.53 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 104' ' ' VAL . 40.3 mt -80.26 -45.0 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.935 HG21 HG23 ' A' ' 37' ' ' ILE . 17.1 pt -81.33 1.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.94 -45.04 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.9 -18.56 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.9 m-85 -129.86 29.63 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.54 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 66.35 9.19 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.27 -34.63 11.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.85 54.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.18 -59.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -18.25 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -62.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.451 HG13 HG21 ' A' ' 30' ' ' ILE . 2.4 pt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -92.89 158.22 38.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.88 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -35.87 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -36.79 67.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.826 ' CD2' HD22 ' A' ' 26' ' ' LEU . 7.0 tp -57.45 -47.83 80.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -66.62 -32.59 74.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 t -59.63 -35.7 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 29.9 t80 -93.06 -39.48 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 t -99.13 115.27 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.7 m -93.72 36.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.832 ' HE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-30 -91.19 138.45 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -65.32 -40.1 93.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.3 t -63.37 -36.31 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG21 ' HG3' ' A' ' 66' ' ' GLN . 99.5 t -75.03 -42.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.4 -54.7 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 16' ' ' GLU . 13.6 t -55.75 -32.86 63.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -58.08 137.35 84.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.72 22.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -41.72 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.73 -37.62 66.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' NH1' ' A' ' 21' ' ' ARG . 24.1 mt -79.86 -54.02 6.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.826 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.4 mt -45.09 -47.12 11.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -54.21 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.87 -42.3 71.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.36 -50.77 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.451 HG21 HG13 ' A' ' 4' ' ' ILE . 79.8 mt -49.42 -47.19 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 34' ' ' THR . 59.7 mt -70.08 -48.35 58.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.86 -28.38 56.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.83 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.784 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.4 t -51.76 -26.02 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.02 87.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -68.27 -46.86 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 108' ' ' ILE . 23.2 mt -65.71 -44.47 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.1 mt -60.19 -35.11 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.74 -38.0 54.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 25.9 mttm -60.03 -44.38 94.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.1 m -88.43 -20.45 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 67.88 34.75 83.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 63.7 m-70 -146.7 127.94 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -102.86 123.28 46.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.33 92.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -108.96 -64.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -43.39 109.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.84 -17.95 19.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.75 14.24 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 45.8 t80 -165.02 66.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 51' ' ' ILE . 19.3 mt -124.94 75.02 66.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 37.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 tp -148.99 72.59 10.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.98 -170.94 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -41.62 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -52.99 -55.58 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.25 -55.2 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.35 -44.38 44.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 8.8 tp -70.02 -50.21 43.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.6 -45.44 66.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.1 -42.3 72.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 17.1 mt -59.17 -40.46 85.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.47 -46.09 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -63.88 -42.19 97.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 1.2 m -58.2 -47.43 83.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 18' ' ' VAL . 23.7 tt0 -68.14 -42.04 80.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 100' ' ' GLN . 8.2 t80 -58.93 -53.83 53.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.19 -52.69 25.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.71 -26.68 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.832 HD22 ' HE2' ' A' ' 15' ' ' PHE . 7.0 tp -69.97 -76.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.594 HD13 HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -52.5 -25.47 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 71' ' ' ILE . 5.0 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.593 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 34.0 mm-40 -130.52 -174.6 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.5 mptt -45.93 130.07 7.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.04 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.43 64.12 6.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.28 -8.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.92 -35.12 72.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.09 -26.61 63.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.0 mt -73.87 -52.06 14.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 37' ' ' ILE . 1.1 pt -70.34 -16.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -49.15 -38.41 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -27.84 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 45.5 m-85 -127.37 43.16 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 65.82 9.3 5.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.43 -37.43 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -79.09 -21.87 46.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.88 -55.34 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -23.88 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.0 tpp -80.36 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.556 0.217 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.633 HD12 HG12 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -40.77 138.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.34 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.633 HG12 HD12 ' A' ' 2' ' ' LEU . 1.1 pp -118.5 124.84 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.795 HG22 ' HD2' ' A' ' 6' ' ' PRO . 1.6 m -56.51 147.23 50.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.795 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -30.65 7.02 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -67.63 -37.42 82.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.18 -30.96 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.712 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -67.16 -46.71 73.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -69.64 -29.62 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -60.22 -37.93 81.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -94.43 -23.6 17.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -96.57 119.68 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.77 35.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-85 -103.21 131.68 50.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 20' ' ' THR . 0.5 OUTLIER -64.2 -36.55 84.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m -61.77 -43.03 99.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.91 -33.3 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.47 -51.76 39.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 16' ' ' GLU . 13.2 p -56.14 -48.64 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.62 128.87 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.89 38.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -38.56 69.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 25' ' ' LEU . 7.7 pt-20 -55.26 -42.6 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 78.2 mt -79.5 -50.45 10.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.3 mt -43.15 -34.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -66.37 -54.7 21.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -57.49 -38.04 73.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -70.9 -50.16 37.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -52.39 -48.29 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 5.3 mt -61.25 -40.35 93.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -26.76 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.66 -45.87 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.586 ' OG1' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -61.92 -34.57 76.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.34 -33.06 41.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.85 -51.44 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.718 HG23 HG21 ' A' ' 108' ' ' ILE . 22.5 mt -57.27 -44.59 84.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 43' ' ' HIS . 16.2 mt -59.75 -36.52 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.44 -35.0 61.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -63.08 -41.5 99.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 m -93.82 -10.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 37.33 92.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' ILE . 88.2 m-70 -151.48 142.56 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -117.67 117.72 30.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.86 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -106.81 -58.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.03 115.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.752 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.52 -17.37 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.38 12.21 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 51.7 t80 -163.75 67.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 48' ' ' ALA . 56.9 mt -132.24 67.61 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.39 42.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD21 HG22 ' A' ' 4' ' ' ILE . 2.9 tp -140.79 73.91 27.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.502 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.0 169.63 22.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -65.73 -24.2 66.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.7 p -68.43 -55.61 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 54' ' ' PRO . 66.7 t -61.79 -54.97 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -50.2 -42.45 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.94 -42.06 63.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.12 98.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -74.32 -39.04 63.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.07 -41.11 96.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -70.61 -52.25 22.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.76 -51.34 69.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.428 ' OG ' HD13 ' A' ' 9' ' ' LEU . 86.8 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.5 -33.94 76.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HE1' HD23 ' A' ' 99' ' ' LEU . 1.2 t80 -69.06 -55.85 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.446 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 2.1 m-85 -61.28 -56.23 22.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.49 -26.65 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.467 HD22 ' CE2' ' A' ' 15' ' ' PHE . 4.7 tp -73.6 -43.83 58.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.721 HD12 ' CG ' ' A' ' 91' ' ' TYR . 3.5 pt -97.24 28.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.17 -55.98 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.51 66.22 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -110.39 -177.06 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -39.26 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.04 61.67 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 91' ' ' TYR . 97.7 mt -72.21 140.22 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.9 mt -75.58 153.43 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 91' ' ' TYR . 0.1 OUTLIER -174.95 158.05 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -34.24 95.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' LYS . 7.4 p90 -50.01 -27.38 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 82' ' ' THR . 3.5 m -131.48 21.04 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.49 171.68 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.093 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -97.08 -174.77 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -72.83 125.15 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.1 mt -131.87 -148.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.524 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -150.44 51.26 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.97 -156.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.64 24.32 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 t -82.74 -146.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.721 ' CG ' HD12 ' A' ' 71' ' ' ILE . 78.1 m-85 52.57 54.77 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.0 m -65.7 120.84 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.964 HD11 HD12 ' A' ' 99' ' ' LEU . 9.8 mt -78.68 164.42 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -22.12 62.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.84 -26.58 25.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.16 33.94 3.56 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -103.27 140.04 37.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.51 64.64 8.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.964 HD12 HD11 ' A' ' 93' ' ' LEU . 5.9 tt -48.05 109.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' C ' ' CE1' ' A' ' 67' ' ' PHE . 1.7 tt0 -109.7 170.36 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 67' ' ' PHE . 4.3 mttt -45.64 155.15 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HD3' ' CG ' ' A' ' 67' ' ' PHE . 18.1 Cg_endo -75.03 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -120.26 83.84 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 9.2 m -117.2 10.68 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.68 -39.92 90.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.97 64.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.26 -46.66 66.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.718 HG21 HG23 ' A' ' 37' ' ' ILE . 3.4 pt -82.4 -19.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -24.95 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -30.85 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' ILE . 3.4 m-85 -114.1 22.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.6 t -82.13 144.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 8.7 tmtt? -41.57 101.65 0.25 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.93 4.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.63 70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -119.46 143.21 34.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.624 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.96 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.45 1.763 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.485 ' OD1' ' CD1' ' A' ' 122' ' ' ILE . 2.2 t0 -92.61 34.02 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.642 ' C ' HD12 ' A' ' 119' ' ' LEU . 2.3 pp -82.01 -22.77 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.602 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -42.77 160.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.53 84.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.485 ' CD1' ' OD1' ' A' ' 118' ' ' ASP . 74.3 mt -116.61 157.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 66.75 8.38 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.45 -56.66 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -57.23 -54.5 46.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.83 -59.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -35.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.892 ' O ' HG22 ' A' ' 131' ' ' ILE . 2.4 tpp -86.33 -59.15 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -24.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 43.9 t -76.45 -47.93 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.892 HG22 ' O ' ' A' ' 128' ' ' MET . 1.7 tt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.725 ' CA ' HD13 ' A' ' 31' ' ' LEU . 9.5 ptm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.522 0.201 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.682 ' CD1' HG23 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -129.72 -81.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 171.3 -34.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.368 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.682 HG23 ' CD1' ' A' ' 2' ' ' LEU . 4.8 pt -56.7 179.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.6 p -124.7 160.64 52.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.03 10.39 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -74.24 -32.09 62.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.9 -40.72 75.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.829 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -54.48 -51.0 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.4 pttt -67.19 -32.27 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.9 t -61.29 -30.5 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -99.78 -42.85 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.0 t -69.49 131.02 44.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.3 m -103.5 35.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.25 119.88 39.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -54.95 -35.53 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t -59.55 -37.32 78.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG11 HD11 ' A' ' 9' ' ' LEU . 91.5 t -74.36 -35.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -68.78 -54.72 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 p -45.64 -54.73 7.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.634 ' NH2' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.68 144.61 0.77 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.85 30.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -22.79 58.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -30.53 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.634 HD13 ' NH2' ' A' ' 21' ' ' ARG . 13.9 mt -92.17 -40.21 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.829 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.5 mt -49.39 -48.67 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -46.05 86.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -54.92 -43.31 73.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' ' NE ' ' A' ' 21' ' ' ARG . 81.8 m-20 -70.02 -35.49 74.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 4' ' ' ILE . 31.6 mt -65.57 -51.1 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD13 ' CA ' ' A' ' 1' ' ' MET . 2.3 mt -58.59 -38.3 77.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 2.5 mm-40 -62.98 -33.63 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.19 79.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -52.54 -30.31 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -60.1 -40.96 91.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -68.14 -49.06 63.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.709 HG23 HG21 ' A' ' 108' ' ' ILE . 5.6 mt -60.03 -43.62 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 34' ' ' THR . 28.0 mt -62.83 -36.75 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.99 -30.78 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -67.74 -44.31 77.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -87.14 -14.33 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 59.65 40.25 96.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -171.63 136.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.41 167.91 9.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -108.17 93.16 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -101.95 -56.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.69 112.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.23 -16.38 33.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.39 10.15 15.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 40.0 t80 -161.08 66.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 51' ' ' ILE . 44.8 mt -133.92 68.61 75.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.42 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -131.75 76.91 73.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.99 175.84 10.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.96 -20.71 61.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -71.85 -57.1 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.22 -54.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 mtp85 -51.21 -42.48 60.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.3 tp -70.73 -44.54 66.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.65 82.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -69.37 -39.19 78.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.14 -41.91 97.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -69.37 -52.32 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HG21 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -56.99 -42.88 81.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.417 ' HG ' ' CD1' ' A' ' 61' ' ' LEU . 73.3 m -59.73 -43.89 94.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -68.21 -33.44 74.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CE1' HD23 ' A' ' 99' ' ' LEU . 2.1 t80 -66.85 -52.99 37.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -66.76 -55.56 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.76 14.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 8.7 tp -71.84 -45.48 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.778 HG21 HD22 ' A' ' 99' ' ' LEU . 17.8 pt -93.24 23.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -110.55 -46.81 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.72 -54.94 6.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -41.97 128.26 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.4 -28.83 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.75 -12.04 50.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.5 mt -89.73 132.64 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.819 HG22 ' H ' ' A' ' 80' ' ' GLY . 24.9 mm -138.25 136.17 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.33 24.94 10.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.819 ' H ' HG22 ' A' ' 78' ' ' ILE . . . 90.77 96.84 1.21 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 82' ' ' THR . 67.6 t80 54.84 165.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.42 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 1.9 t -77.73 143.46 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.915 HG21 HD11 ' A' ' 86' ' ' ILE . 8.8 t -172.56 -160.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' N ' ' OG1' ' A' ' 83' ' ' THR . 0.8 OUTLIER -116.55 -178.63 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -50.1 117.96 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.915 HD11 HG21 ' A' ' 83' ' ' THR . 4.5 mt -106.03 -1.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ILE . . . 37.38 60.66 1.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.37 177.97 9.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.91 110.35 22.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.512 ' O ' ' CG ' ' A' ' 91' ' ' TYR . 1.4 p -179.99 103.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.518 ' CG ' HD12 ' A' ' 71' ' ' ILE . 97.5 m-85 -162.62 124.35 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 m -97.0 129.82 44.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 99' ' ' LEU . 11.7 mt -84.16 160.0 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.0 -37.39 4.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -76.59 -61.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.25 44.96 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 m -115.48 146.88 41.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.4 p -85.92 66.32 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -40.85 119.03 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.54 169.71 9.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.13 156.36 20.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.02 41.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.31 66.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.832 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.63 -5.96 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 -28.88 64.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.14 -42.26 72.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 37' ' ' ILE . 20.9 pt -84.7 -17.98 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -48.73 -31.61 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -44.05 90.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 73.3 m-85 -106.28 36.41 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t -100.42 138.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.1 ttpm? -39.16 99.62 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.58 67.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -122.5 144.93 43.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.838 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.619 ' O ' HD12 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -92.17 32.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.838 HD23 ' HG2' ' A' ' 117' ' ' PRO . 3.2 pp -83.99 -19.87 33.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 119' ' ' LEU . 6.4 tt0 -70.04 152.07 44.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 36.54 -124.14 0.88 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 118' ' ' ASP . 42.1 mt 56.29 159.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.417 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 7.5 mt-10 64.98 9.11 5.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.61 -57.25 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -56.07 -54.13 48.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.9 t -52.28 -50.81 35.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -31.9 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.7 ttp -87.8 -39.97 14.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.46 63.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.01 55.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.455 0.169 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.659 HD12 HG12 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -112.08 168.04 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.531 HD13 HD22 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -113.13 -33.42 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.659 HG12 HD12 ' A' ' 2' ' ' LEU . 1.5 pp -45.88 109.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB2' ' A' ' 8' ' ' GLU . 1.7 t -59.16 149.66 66.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.96 -16.52 20.25 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.532 1.806 . . . . 0.0 111.037 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -75.16 -29.74 60.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.663 ' HB2' HG23 ' A' ' 5' ' ' THR . 1.9 tm-20 -74.15 -35.68 64.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -55.01 -50.5 68.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -69.96 -32.13 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -61.77 -29.12 69.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -94.37 -40.7 9.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.0 p -91.12 126.2 36.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.0 m -92.84 32.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.674 ' CE1' HD13 ' A' ' 70' ' ' LEU . 2.4 m-85 -90.71 115.9 28.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 20' ' ' THR . 12.3 tt0 -58.15 -19.41 32.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -45.03 46.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -70.47 -33.17 52.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.41 -41.68 76.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 16' ' ' GLU . 2.9 p -64.69 -26.91 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' NH1' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -65.7 137.67 96.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.02 152.78 41.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.67 -21.78 65.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.0 -31.23 64.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.8 mt -92.57 -48.25 6.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 9' ' ' LEU . 12.9 mt -44.08 -43.75 7.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 45.0 pttt -64.77 -52.26 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' LYS . 6.8 mt-30 -55.06 -43.42 73.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -67.5 -32.2 72.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 61' ' ' LEU . 23.7 mt -68.66 -35.58 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.89 -32.37 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.5 -42.71 99.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.55 -28.84 66.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.558 ' OG1' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -63.46 -40.21 96.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.51 69.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.72 -55.22 8.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.793 HG23 HG21 ' A' ' 108' ' ' ILE . 49.0 mt -58.76 -44.82 91.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 34' ' ' THR . 33.8 mt -59.64 -37.05 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.42 -26.22 63.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 4.6 mttt -73.02 -42.33 63.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.3 m -91.91 -0.21 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.21 43.02 9.18 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -170.49 147.3 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.773 . . . . 0.0 109.587 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -115.87 -175.79 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -128.35 101.61 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 m -124.39 25.32 7.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -126.98 108.21 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.97 -21.59 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 24.97 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.2 t80 -178.78 64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -120.76 78.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.42 20.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 3' ' ' LEU . 4.1 tp -148.1 72.78 11.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -74.99 -179.96 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -32.52 69.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 57' ' ' VAL . 4.6 t -60.5 -54.48 44.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 56' ' ' THR . 69.2 t -61.71 -54.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.34 -42.88 22.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 104' ' ' VAL . . . -59.85 -44.9 93.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD12 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -71.64 -40.74 69.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.15 -41.59 79.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -69.81 -49.49 52.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -58.19 -51.83 68.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -58.79 -53.06 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.03 -31.59 70.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 1.2 t80 -71.33 -45.5 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.63 -54.03 11.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.78 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.674 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.9 tp -75.38 -49.88 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.918 HD12 ' CG ' ' A' ' 91' ' ' TYR . 21.0 pt -92.53 30.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -121.87 -44.84 2.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.62 -49.45 7.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -46.28 112.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -92.96 68.09 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.04 -44.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 92' ' ' THR . 56.5 mt -56.52 131.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 79' ' ' LYS . 53.7 mt -61.54 166.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 78' ' ' ILE . 0.0 OUTLIER 76.55 141.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.73 -84.82 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 53.43 -162.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -95.61 19.54 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 p -83.87 168.04 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' LYS . 2.3 mt-10 -89.69 147.25 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -39.03 124.51 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.5 mt -112.36 -4.27 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.62 -55.28 4.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -42.12 153.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.798 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 41.4 p90 -129.23 120.73 26.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.78 48.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.918 ' CG ' HD12 ' A' ' 71' ' ' ILE . 55.4 m-85 -89.69 130.49 35.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 77' ' ' ILE . 67.6 m -100.34 129.08 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 99' ' ' LEU . 35.0 mt -91.47 160.14 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.97 -15.98 23.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 12.55 28.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.93 28.89 73.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -100.67 141.8 33.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' GLN . 10.5 m -94.65 67.92 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -44.35 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.6 OUTLIER -90.3 172.25 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.91 145.27 0.92 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.8 42.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -75.36 73.72 2.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 64' ' ' LEU . 3.2 m -118.62 -0.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -59.9 -44.07 94.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.64 -25.71 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 104' ' ' VAL . 81.8 mt -68.76 -53.07 24.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.793 HG21 HG23 ' A' ' 37' ' ' ILE . 17.5 pt -73.97 -21.78 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -52.49 -21.71 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.85 -18.67 65.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 88.2 m-85 -138.81 38.63 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 t -95.63 132.72 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.2 tttt -39.11 99.52 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -74.99 -178.9 4.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -127.36 67.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -144.78 143.71 21.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.06 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.6 35.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.7 pp -81.28 -9.84 59.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 119' ' ' LEU . 2.1 tt0 -52.52 168.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.32 85.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.69 154.33 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 71.0 6.15 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.72 -57.26 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -48.74 78.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.09 -50.93 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -32.71 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -53.42 4.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -22.08 6.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.39 67.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HG3' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.489 0.185 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.744 HD12 HG23 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -81.7 159.58 23.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.636 HD21 ' CG2' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -115.2 -8.52 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.744 HG23 HD12 ' A' ' 2' ' ' LEU . 1.1 pt -56.87 146.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -93.44 162.67 27.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.86 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -32.56 72.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -31.33 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.913 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -68.09 -44.93 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -66.51 -29.97 70.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -61.49 -37.98 85.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -89.08 -35.63 16.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -90.41 119.26 30.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -96.01 29.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.8 m-85 -98.03 129.58 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.96 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -60.39 -36.27 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -58.3 -36.18 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 9' ' ' LEU . 55.4 t -74.35 -39.31 48.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -66.2 -55.03 18.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 16' ' ' GLU . 73.4 p -46.16 -43.72 15.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 25' ' ' LEU . 2.1 tpm_? -55.38 126.26 61.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.05 37.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.11 -40.59 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.75 -37.99 63.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 21' ' ' ARG . 36.6 mt -87.59 -50.4 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.913 HD22 ' CD2' ' A' ' 9' ' ' LEU . 10.4 mt -44.79 -39.37 5.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.84 -54.13 50.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -55.15 -33.21 62.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -76.25 -51.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG23 HD21 ' A' ' 61' ' ' LEU . 22.4 mt -56.16 -34.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.883 ' O ' HG22 ' A' ' 34' ' ' THR . 17.1 mt -76.72 -32.62 57.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mm-40 -67.89 -30.47 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.33 -49.92 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.883 HG22 ' O ' ' A' ' 31' ' ' LEU . 13.3 t -57.0 -25.24 58.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -64.5 -44.62 90.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -71.79 -42.1 67.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.733 HD12 HD12 ' A' ' 61' ' ' LEU . 14.5 mt -60.97 -48.81 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.571 ' HA ' HG22 ' A' ' 41' ' ' VAL . 60.8 mt -61.94 -34.88 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 8.9 mttt -81.38 -45.25 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' HA ' ' A' ' 38' ' ' ILE . 35.0 m -78.85 -12.71 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.34 41.39 87.34 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 2.9 p80 -171.53 135.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -108.29 107.4 17.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 46' ' ' SER . 27.4 m-85 -37.59 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 45' ' ' PHE . 2.8 m 33.4 72.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -178.22 111.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.57 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.52 14.35 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 22.2 t80 -166.79 67.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 ' CG2' HD21 ' A' ' 3' ' ' LEU . 1.7 mt -121.11 75.64 30.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.04 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.469 1.773 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 2' ' ' LEU . 1.3 mp -134.43 69.37 73.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -20.7 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.1 p -71.8 -56.96 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.18 -54.57 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -46.19 -43.43 15.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.23 -44.59 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.78 79.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.733 HD12 HD12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -71.07 -42.67 69.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 58' ' ' ARG . 15.3 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -73.14 -51.33 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -64.81 -34.81 79.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.518 ' OG ' HD22 ' A' ' 9' ' ' LEU . 9.0 t -56.87 -38.71 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -75.68 -41.03 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 99' ' ' LEU . 6.0 t80 -52.41 -53.74 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -69.51 -51.82 32.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.35 -26.68 31.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.6 -48.23 23.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.629 HG22 HD13 ' A' ' 77' ' ' ILE . 16.4 pt -92.37 29.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.33 -51.73 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.92 73.32 0.45 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -114.96 -8.99 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 43.36 65.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 t 176.04 -53.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.629 HD13 HG22 ' A' ' 71' ' ' ILE . 60.3 mt -53.32 135.38 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt -103.77 100.91 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 115.01 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 42.32 35.74 1.94 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.09 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 57.85 113.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 111.042 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 83' ' ' THR . 2.5 m 47.76 -162.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.617 ' H ' HG22 ' A' ' 82' ' ' THR . 2.3 m 50.91 177.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.445 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' H ' HG22 ' A' ' 83' ' ' THR . 0.4 OUTLIER -88.19 -169.79 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 112.16 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 86' ' ' ILE . 52.9 mt -95.09 4.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.69 70.66 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -140.95 176.45 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.31 46.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.8 m -130.98 57.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.436 ' CD2' HD12 ' A' ' 71' ' ' ILE . 17.3 m-30 -111.69 82.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -78.48 127.29 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.896 HD11 HD13 ' A' ' 99' ' ' LEU . 15.7 mt -86.52 158.87 19.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.92 -52.62 33.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -22.59 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.87 5.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -88.82 175.05 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 p -122.44 67.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.896 HD13 HD11 ' A' ' 93' ' ' LEU . 8.8 tp -42.6 112.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -115.22 10.73 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER 87.85 143.42 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 101' ' ' LYS . 18.2 Cg_endo -75.0 135.63 19.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -78.75 76.58 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 107' ' ' LEU . 13.7 m -93.4 17.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.7 t80 -63.03 -39.32 94.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.1 -28.65 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.586 HD12 ' HB ' ' A' ' 104' ' ' VAL . 73.0 mt -70.92 -44.88 65.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.956 ' O ' HG23 ' A' ' 112' ' ' VAL . 26.2 pt -84.64 -9.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -60.21 -15.82 27.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.29 -29.21 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 72.9 m-85 -127.04 40.12 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.3 t -98.69 143.23 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -39.53 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 -178.67 4.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -115.64 66.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -133.64 139.89 35.07 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.91 31.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.691 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.6 pp -72.93 -9.85 59.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.425 ' N ' HD12 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.72 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -69.24 80.86 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 34.7 mm -108.96 148.38 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 70.15 6.54 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.96 -53.39 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -16.5 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.67 -47.88 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -27.41 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 129' ' ' ARG . 10.1 ptp -88.71 -37.22 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 128' ' ' MET . 1.1 mpt_? -74.99 -28.16 60.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -23.88 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.983 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.454 0.169 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.683 HD12 HG12 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -41.07 147.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' HB2' HD22 ' A' ' 53' ' ' LEU . 2.1 mp -120.6 68.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.683 HG12 HD12 ' A' ' 2' ' ' LEU . 1.1 pp -141.53 107.17 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -62.13 161.25 25.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.17 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -65.99 -34.27 77.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -32.23 60.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 26' ' ' LEU . 3.6 tp -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' SER . 8.1 ptmt -66.6 -32.68 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.1 t -52.16 -42.24 63.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -91.92 -45.51 8.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -79.19 122.51 26.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.43 39.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.7 m-30 -102.64 118.35 36.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -51.41 -36.31 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.3 t -60.83 -43.21 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD21 ' A' ' 9' ' ' LEU . 93.3 t -73.43 -36.66 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -54.56 21.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 16' ' ' GLU . 21.6 p -51.18 -55.06 19.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.706 HH12 HD13 ' A' ' 25' ' ' LEU . 10.5 mtt-85 -40.1 137.81 1.18 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.11 -42.9 59.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -54.83 -34.34 62.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 HH12 ' A' ' 21' ' ' ARG . 24.4 mt -86.17 -50.83 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 9' ' ' LEU . 14.5 mt -43.38 -34.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -64.34 -52.72 57.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -58.22 -33.83 69.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -76.34 -40.17 52.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mt -61.57 -48.39 89.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.73 -31.5 72.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -56.85 -40.9 76.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -72.66 -44.24 62.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.65 HG23 HD23 ' A' ' 2' ' ' LEU . 6.2 m -44.43 -43.83 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.27 76.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.44 -51.93 67.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.478 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.8 mt -57.25 -51.65 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 59.8 mt -54.93 -35.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.9 -28.36 64.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 6.3 mttp -73.72 -46.47 45.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' VAL . 7.8 m -75.69 -34.64 29.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.98 35.22 19.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' ILE . 4.6 p80 -171.98 150.0 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.608 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -111.45 156.77 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -95.6 74.49 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -53.36 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -52.42 110.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.23 -15.18 59.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.04 13.65 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 16.7 t80 -164.99 67.43 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 51' ' ' ILE . 5.8 mt -126.65 73.3 74.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 151.27 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD22 ' HB2' ' A' ' 3' ' ' LEU . 2.4 tp -139.91 76.1 28.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -74.96 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.439 1.757 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -24.96 59.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.5 p -67.64 -54.14 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.21 -54.99 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -39.89 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.07 -38.62 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.21 99.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.9 mt -62.73 -39.67 94.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -72.71 -52.3 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.11 -44.73 87.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.5 t -57.42 -51.21 70.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -65.56 -42.48 91.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.442 ' CD1' HD21 ' A' ' 99' ' ' LEU . 8.6 t80 -55.9 -51.24 68.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -51.47 17.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.41 -27.77 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 tp -69.47 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.436 ' HA ' ' CD1' ' A' ' 77' ' ' ILE . 27.4 pt -48.47 -34.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -40.49 -58.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.07 89.77 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -96.34 -44.39 7.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.94 -66.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.25 67.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.557 ' C ' HD12 ' A' ' 78' ' ' ILE . 33.4 mt -106.61 131.49 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.557 HD12 ' C ' ' A' ' 77' ' ' ILE . 4.2 mp -145.15 112.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -176.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.66 -68.22 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.17 -171.63 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 82' ' ' THR . 84.1 m -89.02 19.04 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 m -73.17 168.11 19.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -171.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -57.84 122.26 12.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 86' ' ' ILE . 48.4 mt -103.09 1.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 36.76 72.91 0.14 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 173.84 169.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE2' ' OE1' ' A' ' 100' ' ' GLN . 8.7 m-30 -38.79 112.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.53 -148.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.409 ' CG ' HD12 ' A' ' 71' ' ' ILE . 60.0 m-85 47.71 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 77' ' ' ILE . 39.7 m -71.57 123.03 21.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD11 HD13 ' A' ' 99' ' ' LEU . 2.1 mt -71.2 159.75 34.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.31 -42.3 49.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.6 -12.71 48.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.01 16.49 55.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.7 t -91.13 161.46 15.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 p -102.14 96.17 6.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 93' ' ' LEU . 11.6 tp -67.09 125.4 25.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.582 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.2 mt-30 -112.2 -179.43 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 137.04 87.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.2 Cg_endo -75.08 150.11 37.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -75.79 69.67 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.656 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -108.45 -15.25 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 109' ' ' LYS . 29.7 t80 -54.02 -35.22 61.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.97 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -78.8 -17.54 55.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 pt -121.61 7.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.51 -23.43 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -83.91 -38.17 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 9.0 m-85 -98.26 36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -78.43 155.94 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 41' ' ' VAL . 8.7 tmtt? -44.95 111.3 1.24 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.57 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 116' ' ' ASP . . . -97.96 79.26 2.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 115' ' ' ALA . 0.5 OUTLIER 38.01 91.05 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -158.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.69 45.11 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 120' ' ' GLU . 1.4 pp -80.8 -17.65 50.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.734 ' N ' HD12 ' A' ' 119' ' ' LEU . 3.4 tp10 -38.39 152.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 120' ' ' GLU . . . -52.29 93.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 123' ' ' GLU . 52.9 mt -119.42 159.2 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 1.1 mt-10 70.38 6.7 5.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.41 -57.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -56.97 -53.88 52.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.09 -58.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -32.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 131' ' ' ILE . 22.8 mmt -88.95 -57.12 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -49.27 -24.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.8 m -117.18 58.2 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 131' ' ' ILE . 8.7 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.492 0.187 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -78.82 167.57 20.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.581 HD11 HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -131.85 31.06 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.2 137.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -86.92 159.09 52.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -74.99 -32.39 5.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 5' ' ' THR . 4.4 t70 -53.27 -29.5 33.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -40.55 48.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD13 ' OG ' ' A' ' 65' ' ' SER . 3.0 tp -53.17 -50.27 64.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -68.84 -30.55 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 6.2 t -65.22 -31.25 72.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -97.02 -42.16 8.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -73.99 125.47 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.06 31.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.628 ' CD2' HD13 ' A' ' 70' ' ' LEU . 9.6 m-85 -106.42 115.86 30.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tp10 -52.36 -30.65 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -61.69 -38.96 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 69' ' ' ALA . 75.6 t -73.35 -44.11 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -59.05 -51.08 71.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 16' ' ' GLU . 5.8 p -52.66 -49.6 64.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HD2' ' CA ' ' A' ' 73' ' ' GLY . 4.8 ttt-85 -46.98 142.48 5.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.5 Cg_endo -74.96 157.6 42.82 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.13 -32.74 73.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.5 -34.46 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.5 mt -86.41 -44.95 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 9' ' ' LEU . 13.9 mt -49.79 -50.6 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -44.68 94.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -54.95 -40.04 69.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -72.33 -44.02 63.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.89 -39.1 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 mt -70.96 -30.18 66.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -29.87 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -70.01 -36.24 74.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -67.67 -27.41 66.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.69 76.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -76.64 -38.68 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.654 HD12 HD22 ' A' ' 61' ' ' LEU . 6.2 mt -66.73 -50.45 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.557 HG23 ' C ' ' A' ' 43' ' ' HIS . 70.5 mt -59.33 -35.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.75 -25.74 67.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.618 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.6 OUTLIER -78.8 -46.84 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 111' ' ' TYR . 27.2 m -86.94 5.19 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.52 41.13 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' C ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -171.46 142.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' HG21 ' A' ' 38' ' ' ILE . 50.1 p30 -119.01 175.49 5.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -109.7 89.67 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.73 39.72 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.3 m-20 -143.51 112.43 6.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -52.7 -23.3 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.1 25.53 4.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . 81.4 t80 -174.52 57.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 51' ' ' ILE . 43.2 mt -132.24 71.85 79.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.65 41.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 3' ' ' LEU . 2.4 tp -137.62 79.02 35.95 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.772 . . . . 0.0 111.063 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -82.8 -20.3 36.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.08 -56.79 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 111' ' ' TYR . 46.2 t -58.42 -55.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -47.89 -46.11 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.91 -44.57 65.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.43 -45.16 76.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD22 HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.98 -41.12 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.16 -42.51 98.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -67.07 -47.13 72.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -62.78 -49.44 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.594 ' OG ' HD13 ' A' ' 9' ' ' LEU . 84.0 p -57.35 -34.97 69.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.32 -40.71 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.63 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.9 t80 -59.3 -55.05 39.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 11.2 m-85 -66.53 -51.24 58.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.53 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.07 -27.5 20.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 15' ' ' PHE . 6.2 tp -76.38 -48.0 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.684 HD12 ' CG ' ' A' ' 91' ' ' TYR . 28.2 pt -93.77 28.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 26.3 m-20 -128.27 -58.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' CA ' ' HD2' ' A' ' 21' ' ' ARG . . . -62.18 -21.57 61.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 77' ' ' ILE . 0.4 OUTLIER -76.3 127.42 32.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.72 -5.38 42.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -93.05 -20.71 20.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' CG1' ' HB3' ' A' ' 74' ' ' ASP . 6.1 mm -64.03 148.85 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.3 mt -119.17 123.56 71.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.43 19.63 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.82 -94.53 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' THR . 5.2 t80 -140.85 -74.22 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 0.748 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 82' ' ' THR . 22.5 m -141.32 16.86 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.0 p -67.53 169.62 8.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.24 -171.79 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 129.87 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.5 mt -129.76 -143.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.513 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -147.26 36.23 1.21 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.05 -175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -103.18 24.45 10.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 91' ' ' TYR . 44.6 m -113.34 102.96 10.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.684 ' CG ' HD12 ' A' ' 71' ' ' ILE . 62.9 m-85 -159.23 84.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -70.36 142.79 52.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.18 152.84 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.91 -35.17 0.9 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.54 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.24 40.63 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.6 m -119.0 143.46 47.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 76.91 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.3 tp -47.06 110.17 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -99.71 175.42 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 154.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -164.59 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -112.93 48.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 107' ' ' LEU . 7.0 m -95.26 16.64 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.34 -44.61 67.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.86 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 104' ' ' VAL . 75.4 mt -65.81 -45.55 81.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 40' ' ' LYS . 11.2 pt -79.53 -29.43 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ttpt -50.78 -22.61 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -44.8 76.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 25.6 p90 -128.49 52.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.464 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.3 t -87.55 123.39 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.1 OUTLIER -39.47 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.1 Cg_endo -75.04 169.46 22.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.73 80.51 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -110.01 142.88 26.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.668 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.1 Cg_endo -75.05 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 27.29 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.668 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.7 pp -72.61 -21.42 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 119' ' ' LEU . 7.1 pt-20 -46.44 172.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.49 91.82 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.472 HD11 ' HG2' ' A' ' 120' ' ' GLU . 36.6 mt -132.14 145.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.08 5.64 5.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.99 -49.96 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.42 -46.98 71.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 65.3 t -57.19 -55.28 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.55 -31.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 22.5 mmt -89.28 -60.04 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -27.02 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.64 80.16 1.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' H2 ' HD22 ' A' ' 31' ' ' LEU . 2.2 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.521 0.2 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.9 OUTLIER 58.16 -95.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 172.16 37.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.639 HG23 ' CD1' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -141.4 152.72 19.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.531 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -100.04 150.99 37.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -21.31 15.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -30.26 68.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' H ' HG23 ' A' ' 5' ' ' THR . 34.0 mt-10 -75.47 -36.29 60.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.832 HD23 HD22 ' A' ' 26' ' ' LEU . 4.2 tp -52.53 -50.76 62.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 19' ' ' LYS . 12.7 pttt -68.35 -36.77 79.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -58.94 -38.99 80.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -83.15 -41.03 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -74.42 149.86 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 m -104.88 -20.62 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE2' HD13 ' A' ' 70' ' ' LEU . 1.4 m-85 -59.83 127.84 33.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.847 ' O ' HG23 ' A' ' 20' ' ' THR . 3.3 tt0 -65.18 -26.83 68.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.8 m -61.83 -50.33 72.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' HD21 ' A' ' 26' ' ' LEU . 90.9 t -62.97 -39.99 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 10' ' ' LYS . 4.3 mttm -66.43 -54.61 22.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 16' ' ' GLU . 24.1 p -52.57 -51.37 60.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' CG ' ' HD2' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -39.39 146.29 0.36 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 21' ' ' ARG . 18.3 Cg_endo -75.01 155.7 42.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -32.3 73.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -65.12 -28.09 69.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.9 mt -91.7 -40.06 11.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.832 HD22 HD23 ' A' ' 9' ' ' LEU . 51.5 mt -49.91 -51.09 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.42 90.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -38.71 68.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -77.23 -33.36 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.658 HG23 HD21 ' A' ' 61' ' ' LEU . 8.3 mt -70.5 -51.43 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD22 ' H2 ' ' A' ' 1' ' ' MET . 11.7 mt -55.29 -32.35 62.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.85 -29.53 55.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.96 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.1 t -62.81 -31.72 72.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.62 84.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -50.74 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.587 HG23 HG21 ' A' ' 108' ' ' ILE . 15.5 mt -57.63 -38.33 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' A' ' 41' ' ' VAL . 50.3 mt -70.43 -35.1 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -23.11 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -80.94 -46.95 14.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 38' ' ' ILE . 27.5 m -75.76 -26.06 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.1 40.61 50.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -176.78 137.2 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.613 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -98.22 -174.46 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -124.83 80.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -90.37 -57.37 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.57 113.79 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.809 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -64.26 -14.38 55.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 10.2 tt0 -91.43 16.8 9.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 38.3 t80 -167.26 63.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 48' ' ' ALA . 45.3 mt -132.11 68.41 80.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.58 30.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 3' ' ' LEU . 4.2 tp -127.94 85.34 60.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.4 Cg_endo -75.0 -171.62 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.54 -20.19 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' VAL . 12.3 p -73.24 -56.98 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 54.6 t -56.18 -52.68 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.8 mtp85 -52.26 -46.81 65.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 63' ' ' LYS . 2.4 tp -65.08 -50.77 64.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -55.85 -41.97 75.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -65.05 -47.06 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 58' ' ' ARG . 6.0 mt -62.4 -37.86 87.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HD2' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -70.0 -52.92 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -58.61 -46.05 87.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.3 m -58.87 -37.49 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.65 -45.4 65.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 99' ' ' LEU . 2.8 t80 -58.36 -52.19 66.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -65.88 -53.83 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.06 42.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.3 tp -69.3 -67.65 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.642 ' CG2' HD22 ' A' ' 99' ' ' LEU . 3.5 pt -58.5 -44.38 88.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -41.43 -38.37 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.8 73.8 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.35 -153.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.18 58.82 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.12 77.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 92' ' ' THR . 28.6 mt -104.29 148.86 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.25 148.05 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -171.69 -157.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 81' ' ' TYR . . . -107.54 -150.03 15.81 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 80' ' ' GLY . 1.1 p90 -170.53 -48.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 82' ' ' THR . 19.4 m -146.05 17.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 84' ' ' GLU . 12.1 t -174.85 -152.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 83' ' ' THR . 0.8 OUTLIER 57.77 158.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -45.01 134.32 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.4 mt -92.52 -140.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -37.67 94.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -167.49 179.66 4.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CD1' ' OE1' ' A' ' 100' ' ' GLN . 57.7 m-85 -69.72 61.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.31 24.39 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -120.17 45.66 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 77' ' ' ILE . 77.9 m -41.89 148.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.748 HD11 ' HB2' ' A' ' 99' ' ' LEU . 13.4 mt -103.39 172.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.65 96.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -51.53 20.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.89 44.48 0.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.0 m -116.42 149.02 40.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.6 p -91.16 71.59 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.981 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.748 ' HB2' HD11 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -52.49 116.61 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.59 ' OE1' ' CD1' ' A' ' 89' ' ' TYR . 5.8 tp60 -100.9 160.64 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -44.16 160.63 0.22 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.62 36.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 85.24 7.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.469 HG21 ' HB1' ' A' ' 60' ' ' ALA . 1.2 m -130.27 16.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -41.15 87.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.09 -25.63 63.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.16 -40.66 71.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.587 HG21 HG23 ' A' ' 37' ' ' ILE . 11.9 pt -86.76 -16.54 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -53.28 -21.04 4.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -25.47 61.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 82.0 m-85 -133.19 46.91 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.2 t -103.48 142.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.9 100.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.99 4.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -120.0 76.6 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -145.69 130.12 8.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -90.28 40.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.617 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.4 pp -83.66 -11.88 56.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.612 ' N ' HD12 ' A' ' 119' ' ' LEU . 11.1 tt0 -73.26 161.56 30.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.28 42.17 88.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 87.8 mt -143.29 156.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 66.55 8.19 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.64 -48.85 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -52.97 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.8 t -48.79 -49.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -29.75 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.02 -47.9 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -16.33 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.2 m -95.88 -38.09 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.626 ' H2 ' ' CD2' ' A' ' 31' ' ' LEU . 20.1 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.474 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.819 ' O ' HD12 ' A' ' 3' ' ' LEU . 1.9 tt 64.69 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER 166.41 -49.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.53 169.94 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -123.07 167.1 15.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.05 -33.23 4.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -50.88 -49.35 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 5' ' ' THR . 49.4 mt-10 -62.49 -38.0 88.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.994 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.85 -50.9 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 pttt -69.16 -31.09 69.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.19 -37.06 83.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 4.0 t80 -89.17 -44.4 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -74.87 146.2 42.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 26.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.622 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -92.64 137.64 32.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HG23 ' A' ' 20' ' ' THR . 2.4 tt0 -66.72 -37.48 84.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -50.96 70.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.779 HG11 HD11 ' A' ' 9' ' ' LEU . 91.4 t -62.58 -39.83 86.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -55.01 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 16' ' ' GLU . 30.1 p -53.87 -48.11 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 144.17 5.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.97 28.07 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.49 -35.57 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -63.06 -27.74 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.9 mt -89.9 -43.99 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 HD21 ' A' ' 9' ' ' LEU . 21.2 mt -55.04 -47.01 75.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -59.04 -44.26 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.82 -36.62 67.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -48.64 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -53.41 -36.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 34' ' ' THR . 5.1 mt -70.36 -36.79 74.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.12 -25.01 61.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -72.52 -45.29 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.885 HG22 ' O ' ' A' ' 31' ' ' LEU . 14.8 t -60.03 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.55 99.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.26 -49.89 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.69 HG23 HG21 ' A' ' 108' ' ' ILE . 14.1 mt -59.63 -42.48 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.733 HD13 ' CG ' ' A' ' 44' ' ' ASP . 44.5 mt -62.47 -35.31 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.24 -24.09 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 2.8 mttp -75.09 -46.6 33.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.577 HG23 ' H ' ' A' ' 43' ' ' HIS . 28.0 m -81.75 -34.14 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.97 25.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.577 ' H ' HG23 ' A' ' 41' ' ' VAL . 91.5 m-70 -147.71 135.46 21.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.562 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.733 ' CG ' HD13 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -97.86 15.85 22.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 39.6 79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -100.84 -40.32 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 118.12 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -62.39 -15.06 46.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -94.8 15.88 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 29.0 t80 -164.57 61.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 51' ' ' ILE . 34.7 mt -134.61 66.37 69.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.33 31.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 3' ' ' LEU . 4.0 tp -139.08 73.38 38.43 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HG3' ' CE2' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -40.11 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 t -55.25 -43.07 74.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.24 -52.77 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -51.99 -37.5 53.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.46 -47.04 52.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.85 -45.13 70.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -70.05 -41.89 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -56.99 -45.25 83.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.22 -47.71 78.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -43.74 96.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.532 ' OG ' HD22 ' A' ' 9' ' ' LEU . 46.8 t -57.7 -44.64 86.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -71.39 -38.12 71.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -62.56 -49.14 76.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -72.89 -52.73 13.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.69 -26.82 15.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.6 tp -70.64 -42.18 71.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.668 HG22 HD13 ' A' ' 77' ' ' ILE . 1.9 pt -97.96 22.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -111.29 -16.02 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -158.38 90.41 0.11 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -153.81 128.16 9.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.9 62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.09 -60.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.828 HG23 ' O ' ' A' ' 91' ' ' TYR . 20.0 mt -45.68 122.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 75.4 mt -146.29 122.91 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -83.76 150.87 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 81' ' ' TYR . . . -95.81 -146.76 21.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 80' ' ' GLY . 52.5 p90 40.24 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.75 130.91 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 84' ' ' GLU . 14.5 t -171.27 -151.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.387 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' HG23 ' A' ' 83' ' ' THR . 0.5 OUTLIER -98.65 -171.93 2.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -75.85 123.33 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.6 mt -140.19 -142.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.505 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -164.05 47.19 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.756 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 89' ' ' TYR . 24.1 p90 -108.54 115.03 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 2.1 m 169.11 56.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.828 ' O ' HG23 ' A' ' 77' ' ' ILE . 15.9 m-85 -116.24 -1.57 12.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.528 ' O ' HD23 ' A' ' 93' ' ' LEU . 21.8 m 57.21 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 99' ' ' LEU . 37.6 mt -131.29 175.49 9.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.05 -38.42 55.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.45 11.51 16.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.24 32.9 85.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m -98.53 140.0 33.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.0 93.26 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.613 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.2 tp -56.75 106.06 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -91.69 154.17 19.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HE2' ' NZ ' ' A' ' 40' ' ' LYS . 6.4 mttt -40.84 150.24 0.3 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 154.01 41.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.498 1.789 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -78.06 68.31 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.41 -11.69 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -51.61 -33.29 32.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -29.64 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.28 -49.46 49.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.964 ' O ' HG23 ' A' ' 112' ' ' VAL . 13.8 pt -72.97 -14.43 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -31.27 64.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -13.8 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 54' ' ' PRO . 74.3 m-85 -140.88 41.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.8 t -106.3 138.46 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -42.25 104.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.69 72.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -121.49 141.33 33.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.673 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.01 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.28 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.673 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.9 pp -70.13 -20.93 63.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.2 tm-20 -106.53 152.48 23.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 88.0 -41.31 3.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.1 mt -112.7 150.16 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.51 1.87 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.84 -56.36 2.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -36.72 80.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.96 -50.77 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -38.71 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.38 -62.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -24.37 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.7 m -119.66 65.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' HD11 ' A' ' 31' ' ' LEU . 3.7 ttt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.428 0.156 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.591 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.91 -69.7 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.68 ' CB ' HD22 ' A' ' 53' ' ' LEU . 15.3 mt -158.73 -40.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp -82.59 108.82 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 p -47.47 160.06 0.39 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -75.05 -28.9 8.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -35.06 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -68.94 -33.75 74.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.024 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.17 -51.03 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' SER . 5.3 pttm -70.29 -30.69 67.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.9 t -64.1 -27.07 68.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.483 ' OH ' ' CD1' ' A' ' 59' ' ' LEU . 5.7 t80 -98.92 -43.21 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 p -79.65 132.01 36.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.2 m -95.8 41.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.608 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 4.7 m-85 -111.01 126.6 54.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.938 ' O ' HG23 ' A' ' 20' ' ' THR . 3.9 tp10 -67.98 -35.72 78.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -59.92 -37.33 79.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -73.39 -33.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -69.81 -54.14 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.938 HG23 ' O ' ' A' ' 16' ' ' GLU . 60.1 p -48.03 -46.92 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.09 150.19 1.47 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.62 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.94 -26.69 14.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.63 -28.93 63.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.1 mt -88.55 -46.56 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.024 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.5 mt -48.71 -50.81 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 25.4 pttt -57.57 -41.93 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 33.0 mt-30 -60.49 -44.39 96.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.07 -45.31 81.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' A' ' 6' ' ' PRO . 70.8 mt -50.15 -31.48 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.856 ' O ' HG22 ' A' ' 34' ' ' THR . 12.4 mt -78.0 -35.46 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.49 -24.89 67.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.856 HG22 ' O ' ' A' ' 31' ' ' LEU . 6.7 t -61.4 -24.07 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.65 89.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.48 -49.92 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.988 HD12 HD12 ' A' ' 61' ' ' LEU . 4.2 mt -58.36 -34.97 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 43' ' ' HIS . 40.2 mt -72.2 -38.52 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -31.35 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -65.64 -47.08 76.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.42 -23.94 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.38 39.35 36.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' HG23 ' A' ' 38' ' ' ILE . 6.2 p80 -171.17 145.52 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.789 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.24 162.96 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -99.55 72.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -62.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.0 110.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -63.32 -16.27 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.69 11.76 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 36.4 t80 -162.99 67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 48' ' ' ALA . 62.6 mt -134.06 64.15 64.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.5 Cg_endo -74.98 147.17 33.64 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.786 ' CD2' HG23 ' A' ' 4' ' ' ILE . 2.3 tp -123.98 82.52 55.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.17 27.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.57 -38.26 90.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -55.59 -54.38 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 108' ' ' ILE . 54.4 t -63.24 -52.88 53.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 4' ' ' ILE . 3.5 ttp180 -47.46 -47.73 27.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' ' OH ' ' A' ' 12' ' ' TYR . 6.4 tp -61.6 -45.43 94.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.77 -41.4 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.988 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -67.14 -43.23 82.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -63.51 -42.25 98.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -67.12 -50.78 60.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -61.93 -43.67 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.1 t -56.96 -43.16 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.608 ' NE2' ' CD1' ' A' ' 15' ' ' PHE . 22.1 tt0 -70.08 -46.16 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -53.64 -50.8 64.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.7 m-85 -70.74 -52.94 17.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.29 -26.92 31.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' A' ' 15' ' ' PHE . 8.6 tp -71.09 -69.3 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.822 HD12 ' CG ' ' A' ' 91' ' ' TYR . 24.8 pt -60.42 -16.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' TYR . 19.3 m-20 -62.16 -28.67 69.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.81 77.36 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 13.9 t0 -97.11 -81.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -157.68 70.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.07 69.91 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.488 HG22 ' HE2' ' A' ' 79' ' ' LYS . 14.4 mt -89.58 140.6 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 tt -109.37 149.26 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' HE2' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -125.88 25.16 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . 73.67 125.23 0.11 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.63 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 4.7 p90 40.84 -168.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.49 132.37 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.561 HG21 HD11 ' A' ' 86' ' ' ILE . 11.6 t -175.0 -154.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' N ' ' OG1' ' A' ' 83' ' ' THR . 13.4 mt-10 -128.4 159.8 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.99 110.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.561 HD11 HG21 ' A' ' 83' ' ' THR . 6.3 mt -98.75 -6.88 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.58 -57.95 0.69 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' TYR . 49.7 m-20 -46.23 171.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 98' ' ' SER . 16.6 t80 -35.65 124.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.1 -148.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.822 ' CG ' HD12 ' A' ' 71' ' ' ILE . 26.4 m-85 41.74 70.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 m -68.23 123.59 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 99' ' ' LEU . 6.7 mt -76.8 158.55 30.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.26 -19.43 61.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.57 4.35 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.44 28.92 68.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 m -103.9 146.55 28.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.486 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 8.5 m -95.5 74.02 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.0 tp -55.77 107.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.78 156.1 17.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 9.8 mttt -43.97 143.35 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.01 144.79 30.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.456 1.766 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -77.56 72.59 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.635 HG21 ' CD1' ' A' ' 64' ' ' LEU . 33.5 m -96.15 13.2 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' LYS . 14.6 t80 -70.12 -33.3 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.59 -25.68 65.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -44.25 48.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.829 HG21 ' CG2' ' A' ' 37' ' ' ILE . 1.3 pt -93.7 7.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 105' ' ' TYR . 11.4 tttp -64.39 -19.9 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.14 -46.02 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -77.99 -32.77 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 108' ' ' ILE . 6.8 t -41.72 133.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -38.56 99.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.341 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.98 -178.9 4.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.86 70.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -129.17 145.17 55.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.6 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.03 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.04 31.82 1.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 120' ' ' GLU . 2.7 pp -75.45 -25.78 57.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.667 ' O ' HD12 ' A' ' 119' ' ' LEU . 20.7 tt0 58.79 153.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.406 ' N ' ' CG ' ' A' ' 120' ' ' GLU . . . -55.83 86.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 120' ' ' GLU . 76.1 mt -128.38 152.45 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 65.56 9.25 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.57 -42.32 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -51.47 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.23 -54.41 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -42.26 -32.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.403 ' C ' ' N ' ' A' ' 130' ' ' SER . 0.3 OUTLIER -86.74 -61.98 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -25.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 128' ' ' MET . 0.6 OUTLIER -139.29 80.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HA ' HD22 ' A' ' 31' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.469 0.176 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.711 HD23 ' OG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -126.14 134.98 51.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -89.09 86.57 6.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.453 ' CG1' HG21 ' A' ' 30' ' ' ILE . 1.1 pt -152.17 157.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 8' ' ' GLU . 8.9 t -100.02 146.26 31.61 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.95 -10.22 21.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.59 -30.91 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.504 ' H ' HG23 ' A' ' 5' ' ' THR . 4.3 mm-40 -77.27 -35.66 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -55.98 -50.89 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -66.93 -30.98 71.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.3 t -64.08 -31.43 72.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -96.01 -25.34 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -92.16 141.08 28.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.3 24.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' A' ' 70' ' ' LEU . 1.1 m-85 -99.22 125.48 44.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 20' ' ' THR . 2.8 tt0 -59.5 -33.76 71.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -60.67 -42.54 97.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.09 -36.2 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -53.87 30.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 16' ' ' GLU . 16.3 p -55.78 -49.12 74.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 72' ' ' ASN . 1.1 ttt85 -40.58 135.97 1.49 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.94 167.37 27.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.77 -36.04 67.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.1 -34.77 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD12 ' CG ' ' A' ' 22' ' ' PRO . 41.9 mt -86.1 -44.96 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.766 HD22 HD21 ' A' ' 9' ' ' LEU . 21.5 mt -54.51 -41.41 69.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -56.87 -57.24 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -54.94 -37.15 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' ND2' ' A' ' 72' ' ' ASN . 22.3 t70 -66.63 -42.04 87.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 27' ' ' LYS . 14.9 mt -59.27 -37.8 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 mt -71.82 -40.33 69.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -61.26 -28.62 69.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.07 61.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.711 ' OG1' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -68.36 -24.92 64.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.28 88.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.71 -44.86 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.747 HG23 HG21 ' A' ' 108' ' ' ILE . 36.9 mt -58.88 -42.4 85.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' HIS . 86.4 mt -64.58 -40.07 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.44 -25.08 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' CB ' HD11 ' A' ' 108' ' ' ILE . 8.9 mtpt -76.79 -45.62 28.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' ILE . 14.0 m -89.77 8.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 37.64 43.81 1.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' ILE . 3.4 p80 -170.42 144.38 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.641 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.74 156.18 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.7 84.74 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 -56.49 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -48.68 107.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.85 -19.31 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 12.35 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 48.9 t80 -163.81 67.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 51' ' ' ILE . 7.3 mt -123.76 76.59 56.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.1 tp -142.94 76.22 17.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.02 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -19.52 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 ' HA ' HD22 ' A' ' 107' ' ' LEU . 10.9 p -73.98 -46.82 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.518 HG23 ' HG2' ' A' ' 54' ' ' PRO . 88.4 t -66.01 -55.14 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -51.31 -43.76 61.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 tp -73.2 -38.04 66.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.97 -43.76 97.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD23 HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -74.25 -37.95 63.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.56 -37.89 87.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -73.57 -52.63 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.67 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.02 -50.26 74.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 61' ' ' LEU . 80.6 p -56.43 -40.32 74.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -67.29 -30.75 70.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.62 ' CE1' HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -77.44 -47.63 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -26.65 14.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.717 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -64.91 -53.91 39.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' A' ' 77' ' ' ILE . 3.5 pt -75.28 -42.61 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -45.64 -62.81 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.73 -53.15 34.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 126.82 10.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.25 -9.15 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.03 48.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.3 mt -149.45 132.39 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 9.4 mm -55.57 164.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.47 ' N ' ' CG2' ' A' ' 78' ' ' ILE . 0.0 OUTLIER 73.33 123.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.43 88.08 0.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 82' ' ' THR . 9.6 p90 -153.78 134.62 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 81' ' ' TYR . 14.7 t 40.26 -160.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 84' ' ' GLU . 11.3 t -64.23 -139.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.625 ' N ' HG23 ' A' ' 83' ' ' THR . 0.6 OUTLIER 59.32 159.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -41.25 123.24 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 86' ' ' ILE . 66.6 mt -98.56 4.5 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.15 2.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.547 ' O ' ' CZ ' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -60.26 167.36 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -78.14 52.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -144.15 97.99 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.547 ' CZ ' ' O ' ' A' ' 88' ' ' ASP . 14.7 m-85 -132.12 78.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 77' ' ' ILE . 91.2 m -101.81 136.06 42.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.939 HD11 HD23 ' A' ' 99' ' ' LEU . 9.8 mt -92.34 150.67 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.73 -18.87 11.9 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.74 7.29 21.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.94 1.7 85.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.5 m -81.08 149.08 29.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 110.026 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' LEU . 1.5 m -99.8 30.5 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.939 HD23 HD11 ' A' ' 93' ' ' LEU . 0.2 OUTLIER 47.5 -175.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -125.23 -172.7 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 133.17 9.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -74.99 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.44 77.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 64' ' ' LEU . 15.1 m -91.38 21.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 109' ' ' LYS . 1.9 t80 -70.62 -42.79 70.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.99 -25.22 67.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 56' ' ' THR . 84.2 mt -70.91 -47.82 56.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.747 HG21 HG23 ' A' ' 37' ' ' ILE . 4.9 pt -89.52 -0.35 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -61.52 -31.86 71.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.63 -7.59 54.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -134.01 23.42 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 113' ' ' LYS . 1.4 t -72.05 152.15 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.4 tmtt? -39.18 99.73 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.05 -179.62 5.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.21 72.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -140.25 143.02 31.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.533 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.96 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' O ' HD11 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -92.48 31.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.7 pp -78.05 -20.34 52.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 119' ' ' LEU . 56.0 tt0 -88.2 155.81 19.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 120' ' ' GLU . . . 63.26 69.05 1.42 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 118' ' ' ASP . 80.7 mt -139.51 150.46 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 67.85 8.35 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.15 -33.69 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.35 -18.48 45.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.25 -55.96 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -20.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.504 ' O ' HG22 ' A' ' 131' ' ' ILE . 1.7 ttp -87.23 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -39.17 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.57 50.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 128' ' ' MET . 5.6 tt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.887 ' N ' HD11 ' A' ' 31' ' ' LEU . 8.7 ptm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.472 0.177 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.78 -49.71 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.841 ' HB3' HD22 ' A' ' 53' ' ' LEU . 1.3 tp 173.44 -34.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.795 HG23 HD23 ' A' ' 53' ' ' LEU . 1.6 pt -85.06 171.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.5 t -111.79 150.02 41.66 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.97 -20.02 17.34 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -68.47 -30.78 69.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' H ' HG23 ' A' ' 5' ' ' THR . 13.7 mm-40 -77.04 -35.51 56.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.673 HD21 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -52.96 -48.9 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -32.59 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.04 -41.9 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.2 t -81.13 126.0 30.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 14' ' ' VAL . 17.4 m -97.72 42.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.612 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -115.66 126.66 54.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.78 -16.2 62.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 20' ' ' THR . 66.7 m -70.39 -41.25 73.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 69' ' ' ALA . 59.1 t -75.33 -33.21 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -55.32 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 17' ' ' SER . 10.9 t -51.99 -21.31 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -73.67 141.58 79.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.82 40.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.68 -25.54 68.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -70.12 -29.8 66.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 25' ' ' LEU . 27.7 mt -92.17 -46.72 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 HD21 ' A' ' 9' ' ' LEU . 13.3 mt -43.26 -44.78 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -63.99 -53.47 49.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -54.14 -41.46 68.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -66.26 -31.27 71.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.669 HG23 HD23 ' A' ' 61' ' ' LEU . 22.6 mt -69.73 -50.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.887 HD11 ' N ' ' A' ' 1' ' ' MET . 6.2 mt -62.39 -33.05 73.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -33.07 71.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -77.23 -33.94 56.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -41.45 68.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.79 66.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.89 -55.39 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.01 HD12 HD12 ' A' ' 61' ' ' LEU . 5.5 mt -57.92 -43.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.53 -35.39 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.54 -41.68 62.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HD3' ' CD1' ' A' ' 108' ' ' ILE . 47.9 mttm -58.04 -44.87 87.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' HB ' ' NE2' ' A' ' 43' ' ' HIS . 26.7 m -75.0 -21.79 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.94 41.14 73.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 33.2 p80 -176.04 136.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.63 165.22 11.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' SER . 39.5 m-85 -98.75 -65.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' PHE . 27.0 m 36.45 64.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.517 ' H ' HD11 ' A' ' 51' ' ' ILE . 3.1 m-20 -168.31 114.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.1 -15.52 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -107.54 19.64 19.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' HB3' ' CB ' ' A' ' 47' ' ' ASP . 27.3 t80 -167.6 54.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.2 mt -132.65 66.18 76.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 129.51 12.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.763 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.841 HD22 ' HB3' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -122.59 77.14 46.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.62 24.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.06 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.4 p -52.45 -57.7 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.367 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.24 -55.52 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -47.41 -44.89 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.6 tp -67.3 -42.78 83.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -62.96 -42.61 99.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.01 HD12 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -70.55 -39.05 74.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.68 -45.06 93.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -68.42 -48.52 64.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -58.92 -47.54 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 m -56.78 -37.82 71.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -76.93 -35.73 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' HE1' HD23 ' A' ' 99' ' ' LEU . 7.3 t80 -63.18 -45.84 89.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -54.0 9.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -53.73 -26.86 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' CE2' ' A' ' 15' ' ' PHE . 7.9 tp -75.09 -51.06 14.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.878 HG21 HD22 ' A' ' 99' ' ' LEU . 14.0 pt -91.93 30.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -123.91 -46.48 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.6 36.37 4.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 76' ' ' SER . 10.4 t70 -102.49 161.8 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -40.16 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.6 m -65.21 -26.65 68.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 79' ' ' LYS . 24.5 mt -87.34 140.85 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.1 mt -109.72 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HG3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -147.7 22.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.17 -95.85 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -43.79 -61.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.501 ' CG2' ' HA ' ' A' ' 79' ' ' LYS . 63.3 p 41.33 -159.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.552 HG22 ' H ' ' A' ' 84' ' ' GLU . 3.0 m -109.57 -149.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 83' ' ' THR . 0.5 OUTLIER -81.81 6.32 15.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.23 114.86 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 86' ' ' ILE . 31.3 mm -99.25 1.21 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.61 42.94 1.82 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -96.91 -179.3 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.6 42.37 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 m -113.81 61.85 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.814 ' CG ' HD12 ' A' ' 71' ' ' ILE . 22.9 m-85 -120.9 39.53 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.2 m -47.9 132.05 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 99' ' ' LEU . 9.7 mt -92.64 147.54 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.68 -31.32 0.4 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -48.55 18.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 93' ' ' LEU . . . 128.3 42.01 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 m -115.37 137.74 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 p -83.8 61.83 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.878 HD22 HG21 ' A' ' 71' ' ' ILE . 3.0 tt -46.39 110.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -100.84 -174.87 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.6 mptt -54.74 158.16 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.02 80.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 6.5 m -116.61 20.19 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -68.19 -36.82 80.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.23 66.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.14 -52.99 12.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.7 pt -70.52 -22.0 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -51.04 -22.26 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 47.0 t0 -58.21 -51.19 70.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 110' ' ' ASP . 1.0 OUTLIER -119.73 50.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t -95.54 153.11 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -37.88 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.04 166.6 28.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.39 67.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -145.23 143.9 21.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.605 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.02 -161.82 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.28 37.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.8 pp -89.72 -12.43 39.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 40.0 tt0 -110.57 154.95 23.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 120' ' ' GLU . . . 99.69 -10.4 60.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.468 HG22 ' HG3' ' A' ' 123' ' ' GLU . 2.1 mp -120.08 149.02 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 122' ' ' ILE . 1.6 mt-10 72.26 5.03 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -52.94 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -52.57 46.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 67.5 t -50.51 -53.79 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -32.86 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -83.4 -61.53 1.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.44 -27.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -127.51 73.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' HD21 ' A' ' 31' ' ' LEU . 12.3 tpt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.517 0.199 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.815 HD13 HG21 ' A' ' 34' ' ' THR . 5.5 tt -161.97 -68.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.005 ' HA ' HD11 ' A' ' 53' ' ' LEU . 54.4 mt -96.27 -24.57 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 61' ' ' LEU . 6.6 pt -151.0 166.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.795 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -116.36 167.9 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.01 -33.95 4.18 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.795 ' H ' HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -53.21 -50.62 64.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.526 ' H ' HG22 ' A' ' 5' ' ' THR . 48.8 mt-10 -67.93 -38.86 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.855 HD23 HD13 ' A' ' 26' ' ' LEU . 21.5 tp -52.59 -51.07 61.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -33.03 71.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.7 t -67.11 -33.49 75.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -90.81 -49.01 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -77.37 128.14 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -103.32 19.56 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.78 117.06 25.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 20' ' ' THR . 14.4 tt0 -49.33 -24.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.0 m -71.44 -39.04 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 9' ' ' LEU . 61.5 t -75.86 -32.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -68.21 -55.43 12.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 16' ' ' GLU . 2.8 t -58.43 -37.55 75.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.791 ' CZ ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -41.53 131.58 2.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.597 ' CG ' HD12 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -74.96 142.01 27.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.64 -34.63 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.26 -28.34 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.791 HD13 ' CZ ' ' A' ' 21' ' ' ARG . 24.5 mt -89.69 -52.53 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.855 HD13 HD23 ' A' ' 9' ' ' LEU . 21.3 mt -46.0 -45.34 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -56.25 18.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -58.6 -41.48 85.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.75 -47.98 82.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.63 -50.35 77.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 HD21 ' C ' ' A' ' 1' ' ' MET . 7.3 mt -61.99 -40.65 96.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HG2' ' CE ' ' A' ' 85' ' ' LYS . 13.9 tp10 -55.0 -33.42 62.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.815 HG21 HD13 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -47.21 -48.88 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.446 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.82 69.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.1 -55.46 16.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.856 HG23 HG21 ' A' ' 108' ' ' ILE . 5.4 mt -61.84 -33.39 57.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 14.9 mt -73.18 -35.45 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.54 -22.99 61.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -75.58 -43.99 45.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 111' ' ' TYR . 32.3 m -84.6 -24.29 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 67.62 38.98 90.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 99.5 m-70 -157.37 124.09 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -92.18 159.27 15.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.93 102.01 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.2 -41.49 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.47 119.45 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -60.97 -16.51 43.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -87.17 9.77 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 49.3 t80 -161.8 65.32 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 51' ' ' ILE . 59.0 mt -138.72 64.48 36.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.01 151.86 39.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.005 HD11 ' HA ' ' A' ' 3' ' ' LEU . 3.4 tp -137.64 76.34 42.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.229 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.34 33.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.18 -39.09 81.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 t -54.19 -44.96 72.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.66 -54.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -48.03 -38.81 18.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.5 -49.61 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.27 -46.16 62.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.843 HD23 HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -69.34 -43.43 73.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.84 -36.77 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -72.94 -51.68 17.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.58 -47.72 81.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.41 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -60.34 -49.56 77.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.69 -32.53 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 99' ' ' LEU . 5.3 t80 -70.29 -51.57 29.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -49.69 61.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.59 -27.28 38.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.39 -46.1 34.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.656 HD12 ' CG ' ' A' ' 91' ' ' TYR . 37.6 pt -93.07 29.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -109.54 -13.16 14.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.24 74.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -94.47 17.06 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 49.58 42.59 23.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 t -171.84 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LYS . 81.7 mt -69.05 140.03 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.558 ' O ' HG22 ' A' ' 78' ' ' ILE . 2.5 mp -67.37 72.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -146.24 20.27 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.12 94.71 1.45 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.46 173.54 10.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 82' ' ' THR . 19.2 m -89.08 16.7 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.1 p -138.33 158.1 44.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.369 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.6 -162.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' CE ' ' HG2' ' A' ' 32' ' ' GLU . 3.2 ptmm? -81.59 121.2 26.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 86' ' ' ILE . 64.6 mt -105.69 4.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.61 -92.11 1.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.8 -167.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -143.73 44.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -114.27 48.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.656 ' CG ' HD12 ' A' ' 71' ' ' ILE . 14.9 m-30 -91.89 18.27 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.3 m -51.76 120.1 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.709 HD11 ' HB2' ' A' ' 99' ' ' LEU . 12.2 mt -73.52 173.07 10.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.91 -18.1 70.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.25 10.25 40.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.43 8.67 63.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -74.41 149.5 40.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 p -98.65 74.17 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.709 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.1 tp -48.79 104.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -96.17 170.4 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.09 143.43 53.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.01 34.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.31 75.79 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.26 10.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -63.77 -34.54 78.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.29 -24.79 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.14 -43.4 67.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.856 HG21 HG23 ' A' ' 37' ' ' ILE . 34.6 pt -88.62 12.19 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -53.33 -32.05 47.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.74 -44.88 80.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' HB3' HG11 ' A' ' 41' ' ' VAL . 4.4 m-30 -72.73 -47.2 48.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 108' ' ' ILE . 78.0 t -43.86 117.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.38 84.95 42.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.0 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.67 63.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -124.24 143.49 42.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.494 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.03 -161.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -91.18 39.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.3 pp -90.68 -18.35 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.558 ' N ' HD12 ' A' ' 119' ' ' LEU . 2.2 tm-20 -46.04 158.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -51.26 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 120' ' ' GLU . 81.8 mt -135.14 152.24 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.01 5.74 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.94 -54.6 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -63.85 -53.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 53.0 t -52.66 -51.03 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.445 ' O ' ' CG1' ' A' ' 131' ' ' ILE . 5.8 mtt180 -47.44 -29.68 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 ttp -92.65 -48.9 6.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -27.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 40.3 t -110.83 43.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 127' ' ' ARG . 3.7 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CA ' HD21 ' A' ' 31' ' ' LEU . 7.8 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.518 0.199 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 3' ' ' LEU . 2.7 tt 64.96 -82.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 173.72 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 61' ' ' LEU . 2.2 pt -66.78 147.43 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 p -99.77 158.58 31.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -17.41 19.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -34.23 65.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.72 -37.48 59.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD21 HD22 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -56.15 -49.98 72.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.33 -31.41 69.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.9 t -59.95 -41.82 92.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -87.28 -48.6 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -65.56 118.81 10.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' VAL . 5.1 m -92.07 38.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -113.58 114.95 27.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.04 -28.12 16.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 20' ' ' THR . 14.8 m -64.32 -38.88 92.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.19 -32.97 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -67.92 -55.24 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 17' ' ' SER . 9.3 t -54.69 -44.3 73.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -45.77 133.49 6.59 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.28 42.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -66.62 -35.42 80.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.14 -32.14 70.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' A' ' 29' ' ' ASP . 26.0 mt -90.06 -43.74 10.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD22 HD21 ' A' ' 9' ' ' LEU . 26.8 mt -52.67 -41.83 64.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -56.64 -61.19 2.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.26 -32.65 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 12.6 m-20 -73.42 -41.25 63.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 61' ' ' LEU . 21.2 mt -60.88 -50.19 81.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 1' ' ' MET . 13.8 mt -62.55 -30.57 71.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -33.21 75.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.49 -45.98 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.507 ' N ' HD21 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -57.97 -39.0 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.423 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.97 -33.98 65.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.59 -48.43 32.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.635 HD12 HD23 ' A' ' 61' ' ' LEU . 41.9 mt -61.91 -36.35 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.27 -35.18 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.1 -22.85 61.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -75.34 -47.03 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 112' ' ' VAL . 26.9 m -78.5 -32.03 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 43' ' ' HIS . . . 78.32 36.17 31.46 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' CD2' ' HD2' ' A' ' 114' ' ' PRO . 91.5 m-70 -160.08 143.26 13.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 0.78 . . . . 0.0 109.61 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -113.94 142.98 45.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.41 104.04 15.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -129.79 39.87 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.14 109.94 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 51' ' ' ILE . . . -53.93 -20.44 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.13 26.01 5.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.1 t80 179.17 61.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 51' ' ' ILE . 18.3 mt -125.8 76.85 70.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.08 32.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.436 1.756 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.61 HD11 HD21 ' A' ' 2' ' ' LEU . 2.8 tp -169.46 72.54 0.7 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.5 Cg_endo -74.95 -176.57 2.93 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -38.77 81.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.428 ' H ' HG23 ' A' ' 56' ' ' THR . 43.0 p -54.05 -48.7 70.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.94 -51.62 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -38.18 65.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.78 -48.4 59.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -57.56 -42.9 83.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -70.14 -40.48 74.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 10.7 mt -63.5 -39.3 94.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -70.84 -52.55 19.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -60.2 -47.77 84.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 21.0 t -57.92 -40.9 81.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.143 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -69.41 -41.8 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 99' ' ' LEU . 22.4 t80 -55.24 -57.15 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 -46.58 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.0 -30.94 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.77 -48.97 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.833 HD12 ' CG ' ' A' ' 91' ' ' TYR . 11.2 pt -92.78 27.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -103.01 -25.78 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.04 57.24 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.709 ' HB3' HD12 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -112.02 107.75 16.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' ASP . 1.9 tp10 38.09 43.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.251 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m 44.57 65.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -51.81 165.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 77' ' ' ILE . 16.1 mt -79.6 115.87 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG22 ' A' ' 77' ' ' ILE . 3.8 mtmp? -139.57 95.34 2.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.39 114.85 1.1 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 15.7 p90 -171.08 -51.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 82' ' ' THR . 18.8 m -143.72 15.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' GLU . 2.0 m 55.41 174.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' THR . 1.5 tp10 59.13 151.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -78.87 110.48 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 87' ' ' GLY . 1.4 mt -128.7 -146.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 86' ' ' ILE . . . -111.59 -118.41 3.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 44.0 -164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -118.72 124.09 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' TYR . 2.3 m 174.76 41.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.833 ' CG ' HD12 ' A' ' 71' ' ' ILE . 58.9 m-85 -119.4 73.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 m -67.64 137.25 55.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 99' ' ' LEU . 60.1 mt -83.73 172.48 12.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.76 -16.14 76.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.49 9.72 33.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.19 20.34 79.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.0 m -95.87 159.36 15.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.4 p -114.51 88.53 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CG2' ' A' ' 71' ' ' ILE . 2.2 tp -61.78 105.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.97 162.15 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 11.7 mttm -41.06 147.53 0.42 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.03 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.11 72.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.442 HG21 ' HB1' ' A' ' 60' ' ' ALA . 2.4 m -110.4 23.34 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 109' ' ' LYS . 2.6 t80 -69.28 -44.9 70.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.93 -25.64 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.39 -44.39 65.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 37' ' ' ILE . 20.8 pt -83.67 -19.37 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 105' ' ' TYR . 10.3 ttpt -56.26 -20.4 18.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -62.89 -43.63 98.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 13.1 m-85 -122.05 42.43 3.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.767 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -79.85 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 16.1 tptt 51.04 80.69 0.28 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 43' ' ' HIS . 18.3 Cg_endo -74.99 127.83 11.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.08 70.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -139.84 119.28 8.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -161.42 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.26 44.93 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.613 ' C ' HD12 ' A' ' 119' ' ' LEU . 2.3 pp -86.89 -15.54 38.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.57 ' N ' HD12 ' A' ' 119' ' ' LEU . 29.4 tt0 -39.06 156.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -54.51 87.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 120' ' ' GLU . 63.0 mt -125.89 156.46 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 69.12 7.48 6.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.11 -56.35 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -57.26 -49.79 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 68.0 t -56.61 -52.34 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.89 -27.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.753 ' O ' HG22 ' A' ' 131' ' ' ILE . 22.1 mmt -91.47 -52.64 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -30.25 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 60.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.753 HG22 ' O ' ' A' ' 128' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.537 0.208 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 3' ' ' LEU . 2.9 tm? -48.44 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER 167.58 -41.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.21 167.06 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -120.17 166.26 15.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -32.57 5.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.461 1.769 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.776 ' H ' HG23 ' A' ' 5' ' ' THR . 59.5 m-20 -50.3 -34.13 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.5 -36.75 52.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.996 HD23 HD13 ' A' ' 26' ' ' LEU . 10.5 tp -52.83 -48.92 66.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.94 -32.69 71.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -61.35 -38.7 87.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 12.4 t80 -86.34 -44.1 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -83.03 122.59 28.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.7 m -95.04 26.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -93.76 133.09 37.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.38 -34.25 76.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 m -58.8 -43.4 90.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.611 HG22 ' CB ' ' A' ' 69' ' ' ALA . 57.7 t -67.12 -40.69 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -53.24 58.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -56.94 -20.05 21.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CZ ' ' HA2' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -73.25 134.47 80.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.84 43.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -63.92 -37.95 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.29 -42.53 77.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.5 mt -76.87 -43.88 34.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.996 HD13 HD23 ' A' ' 9' ' ' LEU . 15.6 mt -55.68 -40.41 72.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -58.59 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -55.38 -28.99 57.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -76.91 -51.95 10.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -50.9 -50.76 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 4.6 mt -59.86 -33.04 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -37.95 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -75.89 -35.72 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -53.55 -36.82 62.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.2 74.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -56.83 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.578 HD12 HD23 ' A' ' 61' ' ' LEU . 35.3 mt -57.9 -50.37 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.3 mt -56.0 -36.18 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.23 -29.81 60.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HB3' HD12 ' A' ' 108' ' ' ILE . 10.6 mttm -70.02 -46.23 65.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.49 -29.85 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.07 41.6 31.64 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -176.01 127.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.596 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.81 177.79 5.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.95 84.25 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 -49.43 5.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.99 113.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.57 -18.09 17.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -86.41 11.35 12.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 43.4 t80 -162.67 67.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 51' ' ' ILE . 32.4 mt -129.89 70.19 81.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.14 41.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 tp -153.85 77.78 5.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.563 1.822 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -81.64 -31.69 32.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.1 p -62.74 -55.58 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 54' ' ' PRO . 81.1 t -58.13 -54.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 62' ' ' LEU . 5.3 mtp180 -54.42 -36.13 63.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.02 -48.03 39.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.87 -41.5 82.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -70.9 -42.27 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.3 mt -58.59 -44.45 89.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -65.01 -50.14 67.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 4.1 mt -58.15 -44.55 87.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -59.25 -36.54 75.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.06 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -77.04 -40.76 45.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CD2' HD21 ' A' ' 99' ' ' LEU . 7.6 t80 -52.99 -56.22 17.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -68.95 -49.75 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.611 ' CB ' HG22 ' A' ' 18' ' ' VAL . . . -55.37 -27.0 44.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 11.2 tp -75.88 -49.03 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.841 HD12 ' CG ' ' A' ' 91' ' ' TYR . 10.0 pt -92.62 29.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -121.88 -42.43 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' HA2' ' CZ ' ' A' ' 21' ' ' ARG . . . -94.33 15.6 62.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 77' ' ' ILE . 10.7 t70 -92.78 166.88 12.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.4 mt-10 -74.13 58.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 75' ' ' GLU . 2.8 t 84.76 -48.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 77' ' ' ILE . 0.4 OUTLIER 60.16 20.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 78' ' ' ILE . 6.5 mm 63.06 126.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.37 109.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.1 116.73 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' A' ' 90' ' ' SER . 1.3 p90 -172.54 -170.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' ' 83' ' ' THR . 1.9 t -77.81 145.33 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 82' ' ' THR . 1.1 m 80.8 -174.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' H ' HG22 ' A' ' 83' ' ' THR . 1.1 mt-10 -110.8 -149.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -92.18 33.52 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.454 HD12 HG22 ' A' ' 83' ' ' THR . 14.6 mt -74.07 -2.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 127.62 58.36 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.69 168.16 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -123.46 109.76 14.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 0.4 OUTLIER 167.4 58.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.841 ' CG ' HD12 ' A' ' 71' ' ' ILE . 71.1 m-85 -115.88 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.5 m -51.31 160.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 97' ' ' SER . 90.5 mt -123.58 157.37 33.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.11 -41.24 2.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -72.24 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.99 43.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.613 ' HB2' HD12 ' A' ' 93' ' ' LEU . 1.3 m -116.91 145.81 43.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' GLN . 3.9 p -99.61 65.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -52.68 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -126.38 118.34 24.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.65 117.74 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.33 8.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.4 69.4 3.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 10.4 m -119.26 15.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -43.43 70.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.77 -25.05 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.08 -52.07 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 112' ' ' VAL . 19.2 pt -75.2 -21.59 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -49.03 -23.97 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -37.95 85.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.2 m-85 -119.33 45.32 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 108' ' ' ILE . 2.0 t -100.69 146.87 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -39.14 99.61 0.2 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -74.99 169.1 23.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.56 80.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -129.31 145.73 57.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.799 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.58 29.44 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.799 HD23 ' HG2' ' A' ' 117' ' ' PRO . 3.3 pp -76.67 -8.53 57.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 173.49 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.21 87.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 80.6 mt -132.28 150.44 33.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 73.24 3.81 4.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.9 -56.87 2.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -48.29 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -58.5 -43.58 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -31.21 39.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -35.95 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.41 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.76 70.53 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.464 0.173 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.663 HD13 HG23 ' A' ' 34' ' ' THR . 22.2 tp -64.74 -91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -178.55 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.71 152.93 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -107.36 163.64 16.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.06 18.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -31.53 49.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.73 -30.97 56.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -61.3 -50.89 71.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 3.0 pttt -67.76 -31.63 71.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.7 t -52.84 -40.77 63.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -91.42 -47.09 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.1 t -59.13 145.38 42.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 m -119.47 30.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -107.76 116.89 32.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -52.18 -29.04 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -62.97 -42.51 99.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.22 -40.58 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -63.91 -46.6 84.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.833 HG23 ' O ' ' A' ' 16' ' ' GLU . 22.4 p -61.09 -54.74 40.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 145.03 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 158.79 42.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -64.09 -46.32 84.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.74 -48.12 63.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.7 -43.8 83.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 HD23 ' A' ' 9' ' ' LEU . 14.4 mt -54.09 -42.93 69.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -54.95 41.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -54.95 -35.86 64.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.0 -51.06 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.5 -50.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 12.9 mt -61.25 -32.4 72.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -40.64 91.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -76.69 -30.11 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.663 HG23 HD13 ' A' ' 2' ' ' LEU . 5.3 m -58.84 -37.29 76.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.433 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.11 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -54.99 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 61' ' ' LEU . 9.8 mt -61.79 -43.62 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 34' ' ' THR . 32.7 mt -58.47 -40.61 79.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.58 -26.72 67.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 108' ' ' ILE . 1.1 mttt -75.43 -46.95 29.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 111' ' ' TYR . 28.2 m -84.79 1.41 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.76 40.49 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 5.3 p80 -174.42 143.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.773 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -112.64 -179.14 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -117.66 90.98 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 m -101.68 -59.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -42.03 107.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 -20.9 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.38 21.55 3.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 53.0 t80 -173.4 63.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 51' ' ' ILE . 12.6 mt -123.54 76.41 54.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 3' ' ' LEU . 3.0 tp -144.02 79.42 13.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.13 -18.53 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 p -73.5 -48.55 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.435 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 24.9 t -62.85 -54.79 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' O ' HD12 ' A' ' 62' ' ' LEU . 8.3 mtm180 -52.39 -45.72 65.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.48 -50.97 56.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -53.09 -44.69 67.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -71.26 -41.63 69.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 58' ' ' ARG . 5.9 mt -57.49 -41.51 80.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -70.96 -52.45 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -55.11 -52.86 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' OG ' HD13 ' A' ' 9' ' ' LEU . 96.0 p -56.95 -53.18 60.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -58.34 -42.59 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 99' ' ' LEU . 1.5 t80 -58.68 -47.85 83.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.89 -55.76 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.97 -30.42 34.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 15' ' ' PHE . 4.8 tp -61.52 -71.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.578 ' CG2' HD22 ' A' ' 99' ' ' LEU . 2.8 pt -54.9 -38.39 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -61.72 -47.26 86.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.87 37.64 3.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -105.05 178.15 4.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 0.729 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.28 -45.86 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER 177.37 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.48 HD13 ' HB ' ' A' ' 71' ' ' ILE . 2.6 mt 58.32 156.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 145.87 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.43 18.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . 71.35 113.03 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 12.4 p90 40.59 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 0.77 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -137.2 118.05 14.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 84' ' ' GLU . 2.2 m -110.4 -152.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 83' ' ' THR . 1.0 OUTLIER -104.75 6.15 33.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 110.68 18.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.79 -1.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -116.8 86.32 0.41 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -139.22 -161.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.419 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 25.3 m-85 -115.99 49.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.416 ' O ' ' CD2' ' A' ' 91' ' ' TYR . 10.6 m -148.79 109.55 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 90' ' ' SER . 11.8 m-85 -160.41 75.16 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 95' ' ' ASP . 7.4 m -55.18 122.98 12.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 99' ' ' LEU . 8.8 mt -59.52 -113.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -76.0 7.29 29.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.613 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 18.0 t0 91.54 59.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.36 -36.17 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 137.27 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 p -104.88 86.46 2.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 67' ' ' PHE . 1.6 tp -63.01 119.28 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.499 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 1.8 pm0 -102.93 149.64 24.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' CD ' ' CE2' ' A' ' 89' ' ' TYR . 0.2 OUTLIER -41.88 157.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.21 33.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.94 86.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 14.0 m -126.0 20.07 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.66 -44.72 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.11 65.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.09 -29.19 68.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.976 ' O ' HG23 ' A' ' 112' ' ' VAL . 24.6 pt -98.27 -14.74 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -68.57 -9.07 47.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.17 -36.27 58.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.822 ' CE2' HG11 ' A' ' 41' ' ' VAL . 28.6 p90 -132.39 47.97 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t -93.6 138.12 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 -178.07 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.07 66.68 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -117.94 145.03 35.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.733 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.97 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.44 ' O ' HD12 ' A' ' 122' ' ' ILE . 0.9 OUTLIER -92.65 26.45 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.733 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.6 pp -74.15 -17.74 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.429 ' N ' HD12 ' A' ' 119' ' ' LEU . 13.4 tt0 -49.39 164.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.16 86.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 118' ' ' ASP . 46.4 mt -114.53 157.92 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.38 6.35 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.1 -57.28 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -36.36 79.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.239 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.41 ' O ' ' CB ' ' A' ' 130' ' ' SER . 72.0 t -67.63 -36.4 76.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -74.29 -20.73 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.0 mmt -93.09 -59.37 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -56.12 -18.77 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 126' ' ' VAL . 41.6 t -86.86 -38.88 16.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.577 ' O ' HG21 ' A' ' 34' ' ' THR . 1.2 tpp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.476 0.179 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.651 HD11 ' HG ' ' A' ' 61' ' ' LEU . 1.6 mt 165.9 154.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.17 24.85 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.417 HG23 HD22 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -109.13 174.18 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.75 HG23 ' H ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -124.69 167.64 15.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 -34.13 4.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.75 ' H ' HG23 ' A' ' 5' ' ' THR . 1.1 m-20 -51.29 -51.05 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' H ' HG22 ' A' ' 5' ' ' THR . 2.2 mm-40 -60.01 -40.3 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.719 HD13 ' OG ' ' A' ' 65' ' ' SER . 0.9 OUTLIER -52.73 -51.02 62.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -69.94 -29.02 66.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 3.7 t -65.98 -34.01 77.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.051 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -87.2 -45.79 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -72.06 139.57 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -107.42 31.34 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -106.98 129.23 54.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 20' ' ' THR . 6.4 pt-20 -63.12 -24.35 67.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -66.02 -47.75 73.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.573 ' O ' HD11 ' A' ' 26' ' ' LEU . 59.3 t -67.05 -33.1 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -71.32 -40.57 70.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 16' ' ' GLU . 3.9 p -67.34 -50.78 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.66 146.3 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.59 39.72 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.49 -27.14 65.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -30.85 70.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 25' ' ' LEU . 26.2 mt -90.43 -48.62 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 HD21 ' A' ' 9' ' ' LEU . 14.2 mt -44.37 -45.96 9.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.25 -47.25 71.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.15 -43.35 74.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -72.68 -39.21 67.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.549 HD11 HD22 ' A' ' 9' ' ' LEU . 29.8 mt -60.13 -33.0 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 34' ' ' THR . 3.4 mt -74.22 -31.62 62.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.38 -31.52 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -67.02 -26.12 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -76.36 -30.17 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -42.5 80.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.15 -52.01 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.482 HD12 HD22 ' A' ' 61' ' ' LEU . 10.3 mt -57.79 -36.1 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 HD12 HG23 ' A' ' 34' ' ' THR . 20.2 mt -74.65 -36.46 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.4 -23.96 63.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -77.25 -46.8 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 112' ' ' VAL . 33.1 m -82.92 3.53 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.61 40.4 2.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -171.39 141.84 1.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.591 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -113.46 167.18 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -100.22 88.22 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -92.68 -73.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -40.43 113.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.31 -15.13 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.54 14.79 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 27.7 t80 -165.11 65.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 51' ' ' ILE . 23.1 mt -127.6 72.67 78.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.15 17.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 58' ' ' ARG . 2.4 tp -122.21 79.63 44.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HG2' HG23 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.05 162.44 37.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -61.66 -17.47 55.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.2 p -74.84 -55.8 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.81 HG22 ' CZ ' ' A' ' 111' ' ' TYR . 55.6 t -55.44 -53.06 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' HD2' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.57 -45.7 70.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.45 -50.55 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.49 -41.78 69.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.651 ' HG ' HD11 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -73.31 -38.98 65.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.5 -37.19 85.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -72.59 -47.34 48.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.5 mt -63.21 -46.02 88.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.719 ' OG ' HD13 ' A' ' 9' ' ' LEU . 31.0 t -58.72 -44.41 90.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.2 -43.91 85.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -56.21 -56.25 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -66.3 -50.01 65.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -57.3 -29.46 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.1 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.893 HD12 ' CG ' ' A' ' 91' ' ' TYR . 6.5 pt -58.03 -45.22 88.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -41.23 -31.04 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . -107.76 -102.91 2.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 12.4 t70 55.01 169.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mp0 -38.73 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.52 61.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mt -66.99 155.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.537 HG22 ' H ' ' A' ' 80' ' ' GLY . 26.3 mt -136.54 141.74 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 91' ' ' TYR . 3.7 mppt? -92.97 24.0 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.537 ' H ' HG22 ' A' ' 78' ' ' ILE . . . 141.73 -96.89 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 81' ' ' TYR . 10.2 p90 -161.06 84.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' TYR . 2.7 m 77.42 21.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -106.36 162.66 13.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 6.7 mp0 -97.45 -162.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.15 121.2 12.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 86' ' ' ILE . 58.0 mt -102.64 4.91 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 40.52 57.67 2.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 179.48 -176.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -38.9 102.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.484 ' OG ' ' CD2' ' A' ' 91' ' ' TYR . 26.3 p -168.91 -147.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.032 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.893 ' CG ' HD12 ' A' ' 71' ' ' ILE . 46.7 m-85 44.38 54.53 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 m -57.32 130.86 48.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 99' ' ' LEU . 11.4 mt -84.63 169.84 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.98 -24.23 60.29 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -94.04 22.57 5.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.723 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.73 33.81 55.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -92.38 160.74 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.753 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 p -112.59 66.26 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.775 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.5 tp -55.43 110.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.12 175.64 5.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -43.61 153.71 0.38 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -177.07 3.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.564 1.823 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.7 66.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.615 ' HB ' HD12 ' A' ' 107' ' ' LEU . 2.4 m -106.12 18.92 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.31 -27.82 66.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 104' ' ' VAL . 87.4 mt -67.03 -38.52 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.739 HG22 ' OH ' ' A' ' 111' ' ' TYR . 47.2 pt -87.25 -27.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -53.48 -20.96 5.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.02 -41.19 74.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.81 ' CZ ' HG22 ' A' ' 57' ' ' VAL . 41.8 p90 -125.92 40.24 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER -79.69 152.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.2 OUTLIER -38.92 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 178.89 6.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.1 67.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -119.25 143.47 34.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.603 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -74.97 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' O ' HD11 ' A' ' 122' ' ' ILE . 0.8 OUTLIER -91.57 40.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 119' ' ' LEU . 2.2 pp -91.91 -15.15 28.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -67.51 169.83 8.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 50.19 -118.21 5.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 121' ' ' GLY . 46.6 mt 56.41 158.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 65.5 8.23 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.7 -55.76 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -53.48 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.94 -50.86 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -29.74 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 131' ' ' ILE . 15.6 mmt -95.1 -47.32 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -28.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -87.37 -32.37 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 131' ' ' ILE . 2.6 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.473 0.178 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.657 HD22 ' HB ' ' A' ' 34' ' ' THR . 8.4 tp -101.01 -87.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.1 OUTLIER 175.84 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.678 HG23 HD21 ' A' ' 53' ' ' LEU . 6.3 pt -77.81 179.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -129.82 163.17 48.92 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HA ' HD11 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -25.86 11.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -30.86 68.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.94 -39.35 61.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.6 ' CD2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.89 -48.43 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -69.9 -29.44 66.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.6 t -62.79 -29.22 70.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -97.28 -44.31 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.5 p -75.45 137.56 41.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -106.51 24.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -96.0 129.4 43.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.949 ' O ' HG23 ' A' ' 20' ' ' THR . 2.7 tt0 -66.08 -31.77 72.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.9 t -58.38 -36.09 72.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.4 t -75.14 -44.45 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -55.43 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 16' ' ' GLU . 74.4 p -46.8 -58.14 4.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.0 143.81 0.46 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.65 34.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.542 1.812 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -69.84 -38.81 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -60.32 -27.4 67.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD23 HE21 ' A' ' 28' ' ' GLN . 16.8 mt -92.92 -49.5 6.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.6 HD22 ' CD2' ' A' ' 9' ' ' LEU . 11.8 mt -43.68 -42.93 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -45.5 84.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 HE21 HD23 ' A' ' 25' ' ' LEU . 7.3 mt-30 -54.96 -46.12 74.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 69' ' ' ALA . 51.2 t0 -65.68 -33.36 75.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 6' ' ' PRO . 50.5 mt -68.71 -51.18 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' HG22 ' A' ' 34' ' ' THR . 41.1 mt -59.28 -32.98 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -31.73 68.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 64' ' ' LEU . . . -69.19 -44.87 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.657 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.1 t -69.74 -24.38 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.45 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -74.87 -50.12 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.773 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.7 mt -57.0 -32.75 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.648 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 15.5 mt -64.0 -38.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -32.13 55.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 23.7 mttm -66.32 -45.86 78.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 37' ' ' ILE . 35.7 m -84.92 -24.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.21 19.68 68.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' VAL . 88.8 m-70 -132.14 128.15 37.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.614 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' PHE . 1.4 p30 -94.01 14.53 19.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER 35.67 92.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.725 ' C ' HD11 ' A' ' 51' ' ' ILE . 23.2 t -117.75 -59.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -38.13 122.43 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.21 54.73 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -168.79 -36.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 54.3 t80 -103.69 39.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.725 HD11 ' C ' ' A' ' 46' ' ' SER . 96.4 mt -119.03 68.93 9.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -75.01 147.78 34.36 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.437 1.756 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 3' ' ' LEU . 2.7 tp -132.77 80.14 62.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.1 Cg_endo -75.0 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -79.1 -30.91 44.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.9 p -61.32 -53.5 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.1 t -60.8 -52.38 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -53.58 -42.28 67.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.95 -42.2 81.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.838 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -64.88 -41.51 95.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD11 ' OG1' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.3 -44.34 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.88 -44.45 82.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -66.29 -49.29 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -58.74 -48.38 81.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.0 m -60.22 -44.88 94.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.03 -39.38 93.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.81 -56.06 26.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.1 -48.48 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' N ' ' OD2' ' A' ' 29' ' ' ASP . . . -54.21 -27.77 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -76.27 -48.5 19.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.874 HD12 ' CG ' ' A' ' 91' ' ' TYR . 19.2 pt -92.79 28.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -123.85 -44.11 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.67 -37.14 20.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -49.39 107.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.733 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.41 54.72 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.05 -51.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.406 ' CG2' ' HA ' ' A' ' 91' ' ' TYR . 73.9 mt -50.84 132.26 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 78' ' ' ILE . 2.8 mp -100.84 110.43 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 2.9 ptpp? -90.02 -167.18 1.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.719 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -72.74 89.15 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 80' ' ' GLY . 6.3 t80 -36.57 -32.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' GLY . 31.0 p -42.44 115.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.0 m -46.19 168.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 68.76 148.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -48.23 163.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.719 HD11 ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -132.02 -142.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 86' ' ' ILE . . . 141.46 45.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.6 -165.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.231 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -60.52 119.49 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.21 -148.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.874 ' CG ' HD12 ' A' ' 71' ' ' ILE . 23.8 m-85 39.21 65.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.3 m -77.63 125.31 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 93' ' ' LEU . 5.9 mt -77.57 154.85 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.02 -15.62 29.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.99 18.48 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.67 13.2 58.5 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 156.27 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -121.03 71.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.5 tp -44.63 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -103.35 163.82 12.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.47 146.59 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.546 ' HB2' HG13 ' A' ' 104' ' ' VAL . 18.3 Cg_endo -75.0 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -106.85 53.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.838 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -92.98 5.45 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 109' ' ' LYS . 40.7 t80 -54.4 -35.21 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.01 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.68 HD12 ' HB ' ' A' ' 104' ' ' VAL . 88.6 mt -70.93 -26.02 63.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.665 HG21 HG23 ' A' ' 37' ' ' ILE . 18.4 pt -106.84 -10.16 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . 37.6 tptt -60.69 -15.28 27.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.37 -47.86 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 4.0 m-30 -89.89 -1.52 58.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 108' ' ' ILE . 1.4 t -60.75 142.71 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 38.0 tttm -38.48 99.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.1 Cg_endo -75.05 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.07 67.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -141.95 143.74 29.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.752 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.05 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' A' ' 122' ' ' ILE . 0.3 OUTLIER -91.73 37.89 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.752 HD23 ' HG2' ' A' ' 117' ' ' PRO . 2.9 pp -89.68 -20.54 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.472 ' N ' HD12 ' A' ' 119' ' ' LEU . 1.6 mt-10 -49.79 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -55.23 92.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.572 HD13 ' OD2' ' A' ' 118' ' ' ASP . 77.6 mt -127.92 152.75 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.65 4.77 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.92 -56.39 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -57.95 -48.19 80.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.23 -53.7 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -33.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -86.85 -55.53 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -26.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.24 65.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HB3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.493 0.187 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.709 HD12 HG22 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -71.72 -158.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.727 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 tm? -125.58 -43.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 pt -61.12 -176.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 p -137.76 163.92 44.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.76 11.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.789 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.16 -33.07 69.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.44 -38.54 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CD2' HD22 ' A' ' 26' ' ' LEU . 2.0 tp -56.1 -50.18 71.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -34.34 72.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -59.56 -28.2 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.525 ' CD2' HD22 ' A' ' 62' ' ' LEU . 16.9 t80 -99.53 -47.02 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -75.14 121.86 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -94.77 36.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 70' ' ' LEU . 3.0 m-85 -100.09 130.19 46.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -62.43 -37.43 85.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -61.5 -50.26 73.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 69' ' ' ALA . 97.2 t -65.04 -35.42 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -55.01 28.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 p -57.13 -46.93 82.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 134.47 1.02 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.48 41.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.2 -40.91 82.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.83 -32.07 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 25' ' ' LEU . 23.4 mt -88.21 -44.58 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.625 HD22 ' CD2' ' A' ' 9' ' ' LEU . 16.7 mt -51.7 -43.44 62.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -56.19 -57.73 10.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -55.99 -32.91 64.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -73.99 -37.42 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.709 HG22 HD12 ' A' ' 2' ' ' LEU . 70.1 mt -74.76 -39.63 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 34' ' ' THR . 6.4 mt -62.72 -48.97 76.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 85' ' ' LYS . 1.3 tp10 -58.72 -36.74 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.7 76.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.77 -27.96 64.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.52 81.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.88 -47.49 83.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 HD13 ' A' ' 108' ' ' ILE . 6.7 mt -62.14 -40.45 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' GLY . 11.5 mt -66.83 -38.27 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.34 -26.22 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -77.99 -45.31 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 HD12 ' A' ' 108' ' ' ILE . 10.9 m -88.03 -1.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 43.34 42.03 5.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -169.15 147.35 3.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 0.777 . . . . 0.0 109.605 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -102.41 155.21 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.45 41.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -108.36 62.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -132.17 110.95 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.26 -28.22 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.7 pt-20 -98.15 45.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' C ' ' A' ' 51' ' ' ILE . 1.1 t80 -178.94 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.792 HG22 ' O ' ' A' ' 51' ' ' ILE . 28.7 mt 25.58 62.74 0.48 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 18.4 Cg_endo -74.98 133.39 16.57 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.523 1.801 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD2' HD12 ' A' ' 3' ' ' LEU . 3.7 tp -167.72 72.46 0.94 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG3' ' CE1' ' A' ' 111' ' ' TYR . 18.0 Cg_endo -75.05 164.11 33.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.99 -23.63 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.9 p -67.99 -53.45 25.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 108' ' ' ILE . 46.8 t -62.0 -53.77 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -47.65 -42.56 24.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 tp -73.09 -39.78 65.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 104' ' ' VAL . . . -62.26 -43.51 98.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -73.29 -39.91 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 58' ' ' ARG . 8.9 mt -60.94 -40.67 94.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -71.76 -49.99 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD12 HG21 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -58.2 -43.11 87.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 7.9 t -68.82 -46.39 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.65 -32.37 73.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 100' ' ' GLN . 2.9 t80 -71.84 -52.57 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -70.61 -45.66 64.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -59.27 -27.21 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' A' ' 15' ' ' PHE . 5.6 tp -68.33 -70.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.732 ' HA ' HD12 ' A' ' 77' ' ' ILE . 4.7 pt -58.64 -37.37 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 10.7 m-20 -40.9 -35.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' ASP . . . -115.99 -97.39 2.06 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 75' ' ' GLU . 14.0 t70 53.53 172.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -41.69 -64.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -171.17 58.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 92' ' ' THR . 57.1 mt -68.17 133.25 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 79' ' ' LYS . 95.7 mt -52.92 163.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG3' ' CB ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 75.06 123.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' HE3' ' A' ' 79' ' ' LYS . . . 73.17 122.61 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 3.2 p90 -151.5 -52.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 82' ' ' THR . 7.5 m -141.72 15.15 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -120.28 159.42 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.54 -171.93 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' CB ' ' OE1' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -67.84 126.36 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 86' ' ' ILE . 54.1 mt -108.97 2.61 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.6 26.89 53.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.94 -176.22 3.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -141.41 126.54 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.459 ' CB ' ' HG3' ' A' ' 79' ' ' LYS . 0.3 OUTLIER 170.06 41.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.659 ' CG ' HD12 ' A' ' 71' ' ' ILE . 87.3 m-85 -91.85 93.4 8.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.858 ' O ' HG23 ' A' ' 77' ' ' ILE . 6.8 m -82.72 130.62 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 97' ' ' SER . 7.6 mt -71.45 -157.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -32.74 -37.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 3.6 m-20 155.6 77.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.61 -72.69 0.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.596 ' HB2' HD12 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -40.68 120.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.964 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.12 72.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 93' ' ' LEU . 1.3 tp -56.39 114.21 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.516 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.5 pm0 -111.42 170.41 8.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.1 mttp -50.37 141.46 16.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.0 155.51 42.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.16 76.03 6.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.628 ' HB ' HD12 ' A' ' 107' ' ' LEU . 12.9 m -104.9 22.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' LYS . 81.9 t80 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.72 -27.79 68.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 104' ' ' VAL . 86.9 mt -68.9 -41.39 78.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.815 ' O ' HG23 ' A' ' 112' ' ' VAL . 14.6 pt -101.88 13.93 6.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.36 -27.21 60.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.29 -22.31 26.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 54' ' ' PRO . 1.3 m-85 -110.02 25.1 12.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 108' ' ' ILE . 0.9 OUTLIER -81.67 158.69 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -39.7 100.06 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.49 69.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -113.15 143.22 28.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.44 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.22 40.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 119' ' ' LEU . 1.3 pp -90.62 -16.37 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.562 ' N ' HD12 ' A' ' 119' ' ' LEU . 31.5 tp10 -61.86 152.47 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 96.0 -131.05 10.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 123' ' ' GLU . 0.1 OUTLIER 54.75 167.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.534 ' N ' HG23 ' A' ' 122' ' ' ILE . 0.7 OUTLIER 59.1 12.11 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.49 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -61.04 -50.81 71.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.71 -51.13 62.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.94 -31.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.4 mtm -95.33 -43.45 8.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -29.01 20.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -88.12 -21.27 24.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 8.4 tpp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.474 0.178 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.998 HD13 HG22 ' A' ' 30' ' ' ILE . 2.6 mt 166.26 134.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.879 ' HG ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -128.73 46.61 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.914 HG12 HD22 ' A' ' 2' ' ' LEU . 1.5 pt -125.52 145.95 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -103.23 161.34 23.39 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CB ' ' A' ' 26' ' ' LEU . 18.4 Cg_endo -74.98 -24.14 13.15 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.08 -37.69 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -75.5 -37.7 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -56.03 -48.78 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.77 84.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -50.81 -30.77 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -95.81 -38.2 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -83.78 121.57 27.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.71 43.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -120.16 118.12 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.924 ' O ' HG23 ' A' ' 20' ' ' THR . 5.9 pt-20 -56.12 -22.3 27.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 p -61.85 -45.12 95.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 9' ' ' LEU . 61.9 t -71.26 -34.88 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -63.62 -54.36 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 16' ' ' GLU . 50.7 p -49.18 -60.77 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -41.59 136.12 1.96 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 5.2 p-10 -75.71 -40.34 55.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -57.6 -33.02 67.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 25' ' ' LEU . 18.5 mt -85.23 -52.35 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 9' ' ' LEU . 50.0 mt -46.75 -43.69 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -52.88 -53.6 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.58 -32.9 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.01 -52.66 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.998 HG22 HD13 ' A' ' 2' ' ' LEU . 38.4 mt -51.25 -48.91 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' THR . 6.9 mt -56.71 -36.11 69.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -71.37 -30.95 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.89 -48.43 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.523 ' HB ' HD11 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -56.86 -36.88 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.63 25.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -73.02 -53.98 9.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.935 HG23 HG21 ' A' ' 108' ' ' ILE . 28.4 mt -56.92 -36.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.7 mt -68.35 -35.04 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.24 -28.46 62.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CB ' ' CD1' ' A' ' 108' ' ' ILE . 1.5 mttp -72.51 -44.56 62.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 112' ' ' VAL . 11.8 m -86.55 1.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.85 36.5 3.68 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -164.15 145.97 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.593 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.47 163.52 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.38 94.74 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.15 -65.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -44.18 113.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.42 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.77 9.67 15.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 46.2 t80 -157.71 65.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.763 HG22 ' O ' ' A' ' 51' ' ' ILE . 36.0 mt -133.41 66.1 73.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.76 26.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.879 HD22 ' HG ' ' A' ' 3' ' ' LEU . 4.1 tp -135.04 81.56 44.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.2 Cg_endo -75.03 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.29 -32.88 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -61.09 -47.51 85.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.23 -51.1 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -38.94 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tp -66.59 -47.22 73.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 104' ' ' VAL . . . -57.97 -42.65 85.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' CD1' ' OG ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -71.03 -44.18 66.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 15.6 mt -60.63 -36.9 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.03 -49.33 37.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 13.4 mt -61.62 -48.25 81.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' OG ' ' CD1' ' A' ' 61' ' ' LEU . 57.8 m -57.06 -53.15 61.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 15.6 tt0 -61.01 -38.03 84.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -64.0 -43.07 96.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 64' ' ' LEU . 27.8 m-85 -72.3 -57.22 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' A' ' 18' ' ' VAL . . . -55.39 -31.96 62.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 15' ' ' PHE . 6.1 tp -59.34 -66.87 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 77' ' ' ILE . 11.3 pt -57.74 -48.58 83.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 5.4 m-20 -51.38 -49.71 61.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.1 -36.91 86.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.562 1.164 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' OD2' HD11 ' A' ' 77' ' ' ILE . 2.9 t0 -44.48 166.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.47 57.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 91' ' ' TYR . 68.3 mt -49.51 132.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 78' ' ' ILE . 4.7 mp -63.9 88.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -110.95 -172.86 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' C ' ' CG ' ' A' ' 81' ' ' TYR . . . -89.92 16.46 56.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 0.5 OUTLIER 65.48 -66.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -145.78 14.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.392 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 80' ' ' GLY . 10.7 m -51.89 166.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 85' ' ' LYS . 2.7 mt-10 -99.83 143.5 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.803 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER 61.36 131.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.974 HG23 ' CZ ' ' A' ' 91' ' ' TYR . 1.8 mm -111.41 -141.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 86' ' ' ILE . . . 51.92 51.36 40.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -115.86 -157.04 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -98.84 37.55 1.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 91' ' ' TYR . 1.4 t -133.06 -147.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.974 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 39.2 m-85 47.89 32.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 77' ' ' ILE . 87.3 m -49.83 124.89 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 99' ' ' LEU . 9.7 mt -74.78 165.55 25.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.25 -13.0 40.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -104.66 12.56 32.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.01 45.31 95.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.3 m -108.77 143.12 38.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 p -90.13 66.62 6.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.77 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.1 tp -51.45 104.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -104.14 179.46 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -54.04 142.31 46.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 18.4 Cg_endo -75.02 146.0 32.04 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.26 67.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -108.51 -14.97 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -49.91 -36.65 28.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.53 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 104' ' ' VAL . 40.3 mt -80.26 -45.0 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.935 HG21 HG23 ' A' ' 37' ' ' ILE . 17.1 pt -81.33 1.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -68.94 -45.04 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.9 -18.56 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 96.9 m-85 -129.86 29.63 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.54 ' HA ' HG12 ' A' ' 41' ' ' VAL . 1.2 t -76.23 161.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 112' ' ' VAL . 1.2 ttpt -39.95 100.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.01 -177.72 3.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -118.69 71.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -134.27 144.17 50.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.792 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.95 -161.86 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.35 38.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.792 HD23 ' HG2' ' A' ' 117' ' ' PRO . 3.2 pp -91.22 -7.42 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 121' ' ' GLY . 24.9 tt0 -72.96 149.75 43.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 122' ' ' ILE . . . 35.39 -122.94 0.6 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.461 ' O ' ' O ' ' A' ' 121' ' ' GLY . 39.9 mt 56.91 155.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 66.35 9.19 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.27 -34.63 11.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.85 54.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.18 -59.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -18.25 25.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.514 ' O ' HG22 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -84.25 -62.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -58.1 -25.91 61.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m -112.69 39.27 2.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 128' ' ' MET . 4.0 tp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HG3' HD22 ' A' ' 31' ' ' LEU . 9.1 tpp . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.724 HD23 ' OG1' ' A' ' 34' ' ' THR . 0.4 OUTLIER -41.78 136.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.611 ' HG ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -124.84 63.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.588 HG12 HD12 ' A' ' 2' ' ' LEU . 2.4 pt -124.13 146.75 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.2 p -92.89 158.22 38.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -33.88 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -35.87 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.94 -36.79 67.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.826 ' CD2' HD22 ' A' ' 26' ' ' LEU . 7.0 tp -57.45 -47.83 80.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -66.62 -32.59 74.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 t -59.63 -35.7 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.51 ' CD2' ' HB3' ' A' ' 62' ' ' LEU . 29.9 t80 -93.06 -39.48 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 t -99.13 115.27 28.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.7 m -93.72 36.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.832 ' HE2' HD22 ' A' ' 70' ' ' LEU . 3.0 m-30 -91.19 138.45 31.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -65.32 -40.1 93.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.508 ' HA ' HG22 ' A' ' 20' ' ' THR . 9.3 t -63.37 -36.31 83.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG21 ' HG3' ' A' ' 66' ' ' GLN . 99.5 t -75.03 -42.67 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.4 -54.7 18.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 16' ' ' GLU . 13.6 t -55.75 -32.86 63.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' NH1' ' CD1' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -58.08 137.35 84.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.72 22.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -41.72 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.73 -37.62 66.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' NH1' ' A' ' 21' ' ' ARG . 24.1 mt -79.86 -54.02 6.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.826 HD22 ' CD2' ' A' ' 9' ' ' LEU . 20.4 mt -45.09 -47.12 11.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -54.21 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.87 -42.3 71.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.36 -50.77 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.451 HG21 HG13 ' A' ' 4' ' ' ILE . 79.8 mt -49.42 -47.19 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 34' ' ' THR . 59.7 mt -70.08 -48.35 58.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.86 -28.38 56.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -46.83 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.784 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.4 t -51.76 -26.02 8.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.02 87.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -68.27 -46.86 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.866 HG23 HG21 ' A' ' 108' ' ' ILE . 23.2 mt -65.71 -44.47 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.1 mt -60.19 -35.11 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.74 -38.0 54.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 108' ' ' ILE . 25.9 mttm -60.03 -44.38 94.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.585 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 28.1 m -88.43 -20.45 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 67.88 34.75 83.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.448 1.092 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 63.7 m-70 -146.7 127.94 14.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.589 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -102.86 123.28 46.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.33 92.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -108.96 -64.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -43.39 109.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.84 -17.95 19.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.75 14.24 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 45.8 t80 -165.02 66.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 51' ' ' ILE . 19.3 mt -124.94 75.02 66.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.51 37.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD22 ' HG ' ' A' ' 3' ' ' LEU . 4.3 tp -148.99 72.59 10.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 111' ' ' TYR . 18.3 Cg_endo -74.98 -170.94 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -41.62 59.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.7 p -52.99 -55.58 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.25 -55.2 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.35 -44.38 44.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' A' ' 12' ' ' TYR . 8.8 tp -70.02 -50.21 43.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.6 -45.44 66.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -70.1 -42.3 72.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 17.1 mt -59.17 -40.46 85.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -67.47 -46.09 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD12 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -63.88 -42.19 97.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 1.2 m -58.2 -47.43 83.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.445 ' HG3' HG21 ' A' ' 18' ' ' VAL . 23.7 tt0 -68.14 -42.04 80.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.593 ' CE1' ' O ' ' A' ' 100' ' ' GLN . 8.2 t80 -58.93 -53.83 53.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.19 -52.69 25.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 65' ' ' SER . . . -52.71 -26.68 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.832 HD22 ' HE2' ' A' ' 15' ' ' PHE . 7.0 tp -69.97 -76.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.638 HG22 HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -52.5 -25.47 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.17 -38.18 24.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -128.19 -106.5 1.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 76' ' ' SER . 28.2 t0 50.59 92.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.75 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 39.63 29.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASP . 1.0 OUTLIER 59.69 64.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.638 HD13 HG22 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -42.09 162.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -49.41 178.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER 90.6 25.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -33.39 95.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.642 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -167.94 38.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 81' ' ' TYR . 12.9 t 47.45 -152.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 84' ' ' GLU . 8.9 t -129.39 -160.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 83' ' ' THR . 1.9 tt0 70.89 4.74 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.741 ' C ' HD13 ' A' ' 86' ' ' ILE . 13.8 ptpt -143.17 101.07 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.741 HD13 ' C ' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -101.1 -146.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 88' ' ' ASP . . . 98.44 151.66 27.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 87' ' ' GLY . 3.7 m-20 -40.48 129.77 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -177.81 -155.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -93.95 146.35 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.481 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 36.8 m-85 -154.83 40.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.454 ' CB ' HG21 ' A' ' 78' ' ' ILE . 16.6 m -43.53 167.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.504 HD12 ' HB3' ' A' ' 97' ' ' SER . 13.3 mt -110.08 -157.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -32.48 -37.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 1.1 m-20 154.79 77.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.72 -78.52 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.504 ' HB3' HD12 ' A' ' 93' ' ' LEU . 11.6 t -42.93 158.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.031 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 99' ' ' LEU . 17.1 m -138.09 62.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.594 HD23 HD13 ' A' ' 71' ' ' ILE . 5.0 tp -39.28 126.24 1.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.593 ' O ' ' CE1' ' A' ' 67' ' ' PHE . 34.0 mm-40 -130.52 -174.6 3.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.5 mptt -45.93 130.07 7.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 18.3 Cg_endo -75.04 165.91 30.26 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.43 64.12 6.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.512 HG21 HD12 ' A' ' 64' ' ' LEU . 2.3 m -105.28 -8.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.92 -35.12 72.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.09 -26.61 63.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.0 mt -73.87 -52.06 14.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.866 HG21 HG23 ' A' ' 37' ' ' ILE . 1.1 pt -70.34 -16.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -49.15 -38.41 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.4 -27.84 39.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 54' ' ' PRO . 45.5 m-85 -127.37 43.16 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 109' ' ' LYS . 2.1 t -101.67 140.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' VAL . 5.9 pttp -40.33 100.65 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.38 4.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.32 69.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.92 144.2 34.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.729 ' HG2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -75.01 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.72 26.38 2.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 120' ' ' GLU . 2.5 pp -72.95 -29.39 63.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.781 ' O ' HD12 ' A' ' 119' ' ' LEU . 22.3 tt0 58.61 154.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 120' ' ' GLU . . . -57.98 87.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 119' ' ' LEU . 94.2 mt -130.79 154.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 65.82 9.3 5.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.43 -37.43 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -79.09 -21.87 46.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.88 -55.34 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -23.88 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.0 tpp -80.36 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -50.54 -34.61 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.8 m -112.15 48.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 0 0 . 1 stop_ save_